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

Systemtic Name: N-[4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide CAS Name: N-[4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]butyramide Formula: C23H24N4O2S MolecularWeight: 420.52726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-2-6-21(29)24-18-13-11-16(12-14-18)20(28)15-30-23-25-22(17-9-10-17)27(26-23)19-7-4-3-5-8-19/h3-5,7-8,11-14,17H,2,6,9-10,15H2,1H3,(H,24,29)