phenyl 5-azanyl-3-[(2-chloranyl-6-methyl-phenyl)sulfonylamino]-1,2,4-triazole-1-carboxylate

Systemtic Name: phenyl 5-azanyl-3-[(2-chloranyl-6-methyl-phenyl)sulfonylamino]-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 5-amino-3-[(2-chloro-6-methyl-phenyl)sulfonylamino]-1,2,4-triazole-1-carboxylate CAS Name: 5-amino-3-[(2-chloro-6-methylphenyl)sulfonylamino]-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 5-amino-3-[(2-chloro-6-methylphenyl)sulfonylamino]-1,2,4-triazole-1-carboxylate Traditional Name: 5-amino-3-[(2-chloro-6-methyl-phenyl)sulfonylamino]-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C16H14ClN5O4S MolecularWeight: 407.83146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)NC2=NN(C(=N2)N)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)NC2=NN(C(=N2)N)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C16H14ClN5O4S/c1-10-6-5-9-12(17)13(10)27(24,25)21-15-19-14(18)22(20-15)16(23)26-11-7-3-2-4-8-11/h2-9H,1H3,(H3,18,19,20,21)