3-cyclopropyl-4-[(Z)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-cyclopropyl-4-[(Z)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-3-cyclopropyl-1H-1,2,4-triazole-5-thione CAS Name: 3-cyclopropyl-4-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-cyclopropyl-4-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-(4-benzoxy-3-ethoxy-benzylidene)amino]-3-cyclopropyl-1H-1,2,4-triazole-5-thione Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C3CC3)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2C(=NNC2=S)C3CC3)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-2-26-19-12-16(8-11-18(19)27-14-15-6-4-3-5-7-15)13-22-25-20(17-9-10-17)23-24-21(25)28/h3-8,11-13,17H,2,9-10,14H2,1H3,(H,24,28)/b22-13-