[4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate

Systemtic Name: [4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Openeye Name: [4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate CAS Name: sulfamic acid [4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester IUPAC Name: [4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Traditional Name: sulfamic acid [4-[3-cyano-5-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C#N)CN3C=NC=N3)OS(=O)(=O)N

InChI

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