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

Systemtic Name: 4-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(4-benzoxy-3-methoxy-benzyl)amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-3-7-19-22-23-20(27)24(19)21-13-16-10-11-17(18(12-16)25-2)26-14-15-8-5-4-6-9-15/h4-6,8-12,21H,3,7,13-14H2,1-2H3,(H,23,27)