N-(2,6-dimethylphenyl)-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(2H-1,2,3-triazol-4-ylsulfanylmethyl)benzamide Openeye Name: N-(2,6-dimethylphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide CAS Name: N-(2,6-dimethylphenyl)-4-[(2H-triazol-4-ylthio)methyl]benzamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide Traditional Name: N-(2,6-dimethylphenyl)-4-[(2H-triazol-4-ylthio)methyl]benzamide Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NNN=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NNN=C3

InChI

InChI=1S/C18H18N4OS/c1-12-4-3-5-13(2)17(12)20-18(23)15-8-6-14(7-9-15)11-24-16-10-19-22-21-16/h3-10H,11H2,1-2H3,(H,20,23)(H,19,21,22)