3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 3-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-bromanyl-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)phenyl]methyleneamino]-5-phenyl-triazole-4-carboxamide CAS Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-bromo-5-methoxy-4-(1-naphthalenylmethoxy)phenyl]methylideneamino]-5-phenyl-4-triazolecarboxamide IUPAC Name: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide Traditional Name: 3-(4-aminofurazan-3-yl)-N-[(E)-[3-bromo-5-methoxy-4-(1-naphthylmethoxy)benzylidene]amino]-5-phenyl-triazole-4-carboxamide Formula: C30H23BrN8O4 MolecularWeight: 639.45882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)Br)OCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)Br)OCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H23BrN8O4/c1-41-24-15-18(14-23(31)27(24)42-17-21-12-7-11-19-8-5-6-13-22(19)21)16-33-35-30(40)26-25(20-9-3-2-4-10-20)34-38-39(26)29-28(32)36-43-37-29/h2-16H,17H2,1H3,(H2,32,36)(H,35,40)/b33-16+