N-(2-cyclopentylpyrazol-3-yl)-3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-3-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyclopentylpyrazol-3-yl)propanamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-3-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyclopentylpyrazol-3-yl)propanamide Traditional Name: 3-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(2-cyclopentylpyrazol-3-yl)propionamide Formula: C20H24N6O2S MolecularWeight: 412.50856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)CCSC3=NNC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)CCSC3=NNC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2S/c27-18(22-17-10-12-21-26(17)16-8-4-5-9-16)11-13-29-20-24-23-19(28)25(20)14-15-6-2-1-3-7-15/h1-3,6-7,10,12,16H,4-5,8-9,11,13-14H2,(H,22,27)(H,23,28)