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

Systemtic Name: N-[2-[(5-chloranyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-methyl-benzamide Openeye Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-methyl-benzamide CAS Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]-3-methylbenzamide IUPAC Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-3-methylbenzamide Traditional Name: N-[2-[(5-chloro-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]-3-methyl-benzamide Formula: C24H21ClN4OS MolecularWeight: 448.96774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SC3=NC(=NN3CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C24H21ClN4OS/c1-17-8-7-11-19(16-17)22(30)26-20-12-5-6-13-21(20)31-24-27-23(25)28-29(24)15-14-18-9-3-2-4-10-18/h2-13,16H,14-15H2,1H3,(H,26,30)