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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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