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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: N-benzyl-2-[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS2/c1-15(20(26)24(2)14-16-7-4-3-5-8-16)28-21-23-22-19(25(21)17-10-11-17)13-18-9-6-12-27-18/h3-9,12,15,17H,10-11,13-14H2,1-2H3