4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C19H22BrN5O2S MolecularWeight: 464.37928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Br)OCC3=CN=CC=C3)OC

InChI

InChI=1S/C19H22BrN5O2S/c1-3-5-17-23-24-19(28)25(17)22-11-14-8-15(20)18(16(9-14)26-2)27-12-13-6-4-7-21-10-13/h4,6-10,22H,3,5,11-12H2,1-2H3,(H,24,28)