2-[5-azanyl-4-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[5-azanyl-4-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-1-triazolyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyltriazol-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]-N-(o-tolyl)acetamide Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3C)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3C)N)C

InChI

InChI=1S/C19H21N5O3S/c1-12-8-9-15(10-14(12)3)28(26,27)19-18(20)24(23-22-19)11-17(25)21-16-7-5-4-6-13(16)2/h4-10H,11,20H2,1-3H3,(H,21,25)