3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxyphenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3-phenyl-1H-pyrazol-5-yl)-4-[(E)-(4-propoxybenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6OS/c1-2-12-28-17-10-8-15(9-11-17)14-22-27-20(25-26-21(27)29)19-13-18(23-24-19)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3,(H,23,24)(H,26,29)/b22-14+