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

Systemtic Name: 4-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(E)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(E)-(4-benzoxy-3-methoxy-benzylidene)amino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NNC(=S)N2N=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C21H20N6O2S/c1-14-10-17(24-23-14)20-25-26-21(30)27(20)22-12-16-8-9-18(19(11-16)28-2)29-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,23,24)(H,26,30)/b22-12+