2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)propanamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)propionamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-13-5-7-15(8-6-13)21-19(25)14(2)27-20-23-22-18(24(20)16-9-10-16)12-17-4-3-11-26-17/h3-8,11,14,16H,9-10,12H2,1-2H3,(H,21,25)