2-chloranyl-N-[4-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[4-[4-methyl-5-(2-oxidanylidenepropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Openeye Name: N-[4-(5-acetonylsulfanyl-4-methyl-1,2,4-triazol-3-yl)phenyl]-2-chloro-benzamide CAS Name: 2-chloro-N-[4-[4-methyl-5-(2-oxopropylthio)-1,2,4-triazol-3-yl]phenyl]benzamide IUPAC Name: 2-chloro-N-[4-[4-methyl-5-(2-oxopropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]benzamide Traditional Name: N-[4-[5-(acetonylthio)-4-methyl-1,2,4-triazol-3-yl]phenyl]-2-chloro-benzamide Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H17ClN4O2S/c1-12(25)11-27-19-23-22-17(24(19)2)13-7-9-14(10-8-13)21-18(26)15-5-3-4-6-16(15)20/h3-10H,11H2,1-2H3,(H,21,26)