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

Systemtic Name: 2-[5-azanyl-4-(3,4-dimethylphenyl)sulfonyl-1,2,3-triazol-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]-N-phenyl-acetamide CAS Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-1-triazolyl]-N-phenylacetamide IUPAC Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyltriazol-1-yl]-N-phenylacetamide Traditional Name: 2-[5-amino-4-(3,4-dimethylphenyl)sulfonyl-triazol-1-yl]-N-phenyl-acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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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=C3)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2=C(N(N=N2)CC(=O)NC3=CC=CC=C3)N)C

InChI

InChI=1S/C18H19N5O3S/c1-12-8-9-15(10-13(12)2)27(25,26)18-17(19)23(22-21-18)11-16(24)20-14-6-4-3-5-7-14/h3-10H,11,19H2,1-2H3,(H,20,24)