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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)S(=O)(=O)C3=CC(=C(C=C3)C)C)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)S(=O)(=O)C3=CC(=C(C=C3)C)C)N

InChI

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