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

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyano-2-thienyl)propanamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-cyano-2-thienyl)propionamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H19N5OS2/c1-13(18(26)22-19-16(11-21)9-10-27-19)28-20-24-23-17(15-7-8-15)25(20)12-14-5-3-2-4-6-14/h2-6,9-10,13,15H,7-8,12H2,1H3,(H,22,26)