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

Systemtic Name: 3-oxidanylidene-N-phenyl-4-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-N-phenyl-butanamide CAS Name: 3-oxo-N-phenyl-4-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 4-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-3-oxo-N-phenylbutanamide Traditional Name: 4-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-keto-N-phenyl-butyramide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)CC(=O)NC3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C24H21N5O2S/c30-21(14-22(31)26-20-11-5-2-6-12-20)17-32-24-28-27-23(19-10-7-13-25-15-19)29(24)16-18-8-3-1-4-9-18/h1-13,15H,14,16-17H2,(H,26,31)