1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(E)-1-(2-thienyl)ethylideneamino]triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-azepanylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(azepan-1-ylmethyl)-N-[(E)-1-thiophen-2-ylethylideneamino]triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-5-(azepan-1-ylmethyl)-N-[(E)-1-(2-thienyl)ethylideneamino]triazole-4-carboxamide Formula: C18H23N9O2S MolecularWeight: 429.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCCC3)C4=CC=CS4

Isomeric SMILES

C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CN3CCCCCC3)/C4=CC=CS4

InChI

InChI=1S/C18H23N9O2S/c1-12(14-7-6-10-30-14)20-22-18(28)15-13(11-26-8-4-2-3-5-9-26)27(25-21-15)17-16(19)23-29-24-17/h6-7,10H,2-5,8-9,11H2,1H3,(H2,19,23)(H,22,28)/b20-12+