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

Systemtic Name: N-(2-cyanopropan-2-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: N-(2-cyanopropan-2-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C19H23N5OS MolecularWeight: 369.48382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3CC3

InChI

InChI=1S/C19H23N5OS/c1-19(2,13-20)23(3)16(25)12-26-18-22-21-17(15-9-10-15)24(18)11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3