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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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