N-(2-cyclopentylpyrazol-3-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C22H26N6OS/c29-20(24-19-12-13-23-28(19)18-8-4-5-9-18)15-30-22-26-25-21(17-10-11-17)27(22)14-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18H,4-5,8-11,14-15H2,(H,24,29)