4-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(E)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C19H15ClN4O2S MolecularWeight: 398.866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3)Cl)OCC#C

InChI

InChI=1S/C19H15ClN4O2S/c1-3-9-26-17-15(20)10-13(11-16(17)25-2)12-21-24-18(22-23-19(24)27)14-7-5-4-6-8-14/h1,4-8,10-12H,9H2,2H3,(H,23,27)/b21-12+