2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxidanylidene-1-phenyl-butan-2-yl)ethanamide Openeye Name: N-(1-benzyl-2-oxo-propyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: N-(1-benzyl-2-keto-propyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O2S/c1-15(28)19(13-16-5-3-2-4-6-16)24-20(29)14-30-22-26-25-21(27(22)18-7-8-18)17-9-11-23-12-10-17/h2-6,9-12,18-19H,7-8,13-14H2,1H3,(H,24,29)