[4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate

Systemtic Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate Openeye Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-cyanophenyl)-(1,2,4-triazol-4-yl)carbamoyl]phenyl] ester Formula: C16H12N6O4S MolecularWeight: 384.36928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N(C(=O)C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NN=C3

Isomeric SMILES

C1=CC(=CC=C1C#N)N(C(=O)C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NN=C3

InChI

InChI=1S/C16H12N6O4S/c17-9-12-1-5-14(6-2-12)22(21-10-19-20-11-21)16(23)13-3-7-15(8-4-13)26-27(18,24)25/h1-8,10-11H,(H2,18,24,25)