3-butyl-4-[(E)-(3-methoxy-2-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-butyl-4-[(E)-(3-methoxy-2-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(2-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-butyl-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(2-benzoxy-3-methoxy-benzylidene)amino]-3-butyl-1H-1,2,4-triazole-5-thione Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1N=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NNC(=S)N1/N=C/C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-3-4-13-19-23-24-21(28)25(19)22-14-17-11-8-12-18(26-2)20(17)27-15-16-9-6-5-7-10-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)/b22-14+