4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide

Systemtic Name: 4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide Openeye Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide CAS Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(2,6-dimethylphenyl)benzamide IUPAC Name: 4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(2,6-dimethylphenyl)benzamide Traditional Name: 4-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-N-(2,6-dimethylphenyl)benzamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NNC(=N3)N

InChI

InChI=1S/C18H19N5OS/c1-11-4-3-5-12(2)15(11)20-16(24)14-8-6-13(7-9-14)10-25-18-21-17(19)22-23-18/h3-9H,10H2,1-2H3,(H,20,24)(H3,19,21,22,23)