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

Systemtic Name: 3-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]propanamide CAS Name: 3-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]propionamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N5O2S2/c22-18(27)10-11-25(13-15-5-2-1-3-6-15)19(28)14-30-21-24-23-20(17-7-4-12-29-17)26(21)16-8-9-16/h1-7,12,16H,8-11,13-14H2,(H2,22,27)