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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C20H22N4OS2/c1-14(19(25)21-13-15-6-3-2-4-7-15)27-20-23-22-18(24(20)16-9-10-16)12-17-8-5-11-26-17/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,21,25)