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

Systemtic Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-phenyl-benzamide Openeye Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-phenyl-benzamide CAS Name: 2-[[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]-N-phenylbenzamide IUPAC Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]-N-phenylbenzamide Traditional Name: 2-[3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propanoylamino]-N-phenyl-benzamide Formula: C27H25N5O2S MolecularWeight: 483.5847

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O2S/c33-24(29-23-14-8-7-13-22(23)26(34)28-20-9-3-1-4-10-20)17-18-35-27-31-30-25(19-15-16-19)32(27)21-11-5-2-6-12-21/h1-14,19H,15-18H2,(H,28,34)(H,29,33)