N-(5-azanyl-1-pyridin-2-yl-1,2,4-triazol-3-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide

Systemtic Name: N-(5-azanyl-1-pyridin-2-yl-1,2,4-triazol-3-yl)-4-chloranyl-5-methyl-2-sulfanyl-benzenesulfonamide Openeye Name: N-[5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]-4-chloro-5-methyl-2-sulfanyl-benzenesulfonamide CAS Name: N-[5-amino-1-(2-pyridinyl)-1,2,4-triazol-3-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide IUPAC Name: N-(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide Traditional Name: N-[5-amino-1-(2-pyridyl)-1,2,4-triazol-3-yl]-4-chloro-2-mercapto-5-methyl-benzenesulfonamide Formula: C14H13ClN6O2S2 MolecularWeight: 396.87502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=N3

InChI

InChI=1S/C14H13ClN6O2S2/c1-8-6-11(10(24)7-9(8)15)25(22,23)20-14-18-13(16)21(19-14)12-4-2-3-5-17-12/h2-7,24H,1H3,(H3,16,18,19,20)