N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NNC(=O)N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2S/c1-15-12-18(27(25-15)17-10-6-3-7-11-17)22-19(28)14-30-21-24-23-20(29)26(21)13-16-8-4-2-5-9-16/h2-12H,13-14H2,1H3,(H,22,28)(H,23,29)