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

Systemtic Name: 4-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H20N6S MolecularWeight: 388.4887

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NN3C(=NNC3=S)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6S/c1-15-19(16(2)26(25-15)14-17-9-5-3-6-10-17)13-22-27-20(23-24-21(27)28)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,24,28)