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

Systemtic Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Openeye Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester IUPAC Name: [4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl] ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)OS(=O)(=O)N)N3C=NC=N3

InChI

InChI=1S/C16H13N5O3S/c17-9-12-1-3-13(4-2-12)16(21-11-19-10-20-21)14-5-7-15(8-6-14)24-25(18,22)23/h1-8,10-11,16H,(H2,18,22,23)