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

Systemtic Name: 3-oxidanylidene-4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide Openeye Name: 3-oxo-4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-butanamide CAS Name: 3-oxo-4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenylbutanamide IUPAC Name: 3-oxo-4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylbutanamide Traditional Name: 3-keto-4-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-phenyl-butyramide Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c30-21(16-24(31)26-19-10-4-1-5-11-19)18-33-25-28-27-23(17-32-22-14-8-3-9-15-22)29(25)20-12-6-2-7-13-20/h1-15H,16-18H2,(H,26,31)