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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-phenylacetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C25H22ClN5OS MolecularWeight: 475.99308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CC=NC=C5)Cl

InChI

InChI=1S/C25H22ClN5OS/c1-16-7-8-19(15-21(16)26)28-24(32)22(17-5-3-2-4-6-17)33-25-30-29-23(31(25)20-9-10-20)18-11-13-27-14-12-18/h2-8,11-15,20,22H,9-10H2,1H3,(H,28,32)