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

Systemtic Name: [3-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Openeye Name: [3-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate CAS Name: sulfamic acid [3-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester IUPAC Name: [3-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Traditional Name: sulfamic acid [3-[4-cyano-3-(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(=C1)OS(=O)(=O)N)C2=CC(=C(C=C2)C#N)CN3C=NC=N3

Isomeric SMILES

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

InChI

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