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

Systemtic Name: 4-[(Z)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-(3-chloro-5-ethoxy-4-propoxy-phenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-(3-chloro-5-ethoxy-4-propoxy-benzylidene)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=NN2C(=NNC2=S)C3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=N\N2C(=NNC2=S)C3=CC=CC=C3)OCC

InChI

InChI=1S/C20H21ClN4O2S/c1-3-10-27-18-16(21)11-14(12-17(18)26-4-2)13-22-25-19(23-24-20(25)28)15-8-6-5-7-9-15/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,28)/b22-13-