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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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