N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]acetamide Formula: C18H18ClN4O2S+ MolecularWeight: 389.87912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17ClN4O2S/c1-12-8-15(16(25-2)9-14(12)19)22-17(24)10-26-18-20-11-21-23(18)13-6-4-3-5-7-13/h3-9,11H,10H2,1-2H3,(H,22,24)/p+1