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

Systemtic Name: 4-[(E)-(3-methoxy-2-phenylmethoxy-phenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(2-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(2-benzoxy-3-methoxy-benzylidene)amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1N=CC2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=NNC(=S)N1/N=C/C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-3-8-18-22-23-20(27)24(18)21-13-16-11-7-12-17(25-2)19(16)26-14-15-9-5-4-6-10-15/h4-7,9-13H,3,8,14H2,1-2H3,(H,23,27)/b21-13+