2-[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide

Systemtic Name: 2-[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-N-cyclopropyl-benzamide Openeye Name: 2-[[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropyl-benzamide CAS Name: 2-[[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-N-cyclopropylbenzamide IUPAC Name: 2-[[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-cyclopropylbenzamide Traditional Name: 2-[[2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-N-cyclopropyl-benzamide Formula: C25H26N6O3S MolecularWeight: 490.57734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)C5CC5

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C(=O)NC4CC4)C5CC5

InChI

InChI=1S/C25H26N6O3S/c1-15(32)26-18-5-4-6-19(13-18)31-23(16-9-10-16)29-30-25(31)35-14-22(33)28-21-8-3-2-7-20(21)24(34)27-17-11-12-17/h2-8,13,16-17H,9-12,14H2,1H3,(H,26,32)(H,27,34)(H,28,33)