3-methyl-5-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NNC(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NNC(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-15-18(12-22)19(27(25-15)17-10-6-3-7-11-17)14-29-21-24-23-20(28)26(21)13-16-8-4-2-5-9-16/h2-11H,13-14H2,1H3,(H,23,28)