3-oxidanylidene-4-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide

Systemtic Name: 3-oxidanylidene-4-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-butanamide Openeye Name: 3-oxo-4-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 3-oxo-4-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 3-oxo-4-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylbutanamide Traditional Name: 3-keto-4-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C25H23N5O2S MolecularWeight: 457.54742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C25H23N5O2S/c31-22(16-23(32)27-21-11-5-2-6-12-21)18-33-25-29-28-24(20-10-7-14-26-17-20)30(25)15-13-19-8-3-1-4-9-19/h1-12,14,17H,13,15-16,18H2,(H,27,32)