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

Systemtic Name: N-(4-chloranyl-3-methyl-phenyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-chloro-3-methyl-phenyl)-4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: N-(4-chloro-3-methylphenyl)-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-chloro-3-methylphenyl)-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-chloro-3-methyl-phenyl)-4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=CN3C(C)C)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-13(2)25-12-22-24-20(25)27-11-15-4-6-16(7-5-15)19(26)23-17-8-9-18(21)14(3)10-17/h4-10,12-13H,11H2,1-3H3,(H,23,26)