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

Systemtic Name: [2-chloranyl-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Openeye Name: [2-chloro-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate CAS Name: sulfamic acid [2-chloro-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester IUPAC Name: [2-chloro-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Traditional Name: sulfamic acid [2-chloro-4-[5-cyano-2-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester Formula: C16H12ClN5O3S MolecularWeight: 389.81618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)C2=CC(=C(C=C2)OS(=O)(=O)N)Cl)CN3C=NC=N3

Isomeric SMILES

C1=CC(=C(C=C1C#N)C2=CC(=C(C=C2)OS(=O)(=O)N)Cl)CN3C=NC=N3

InChI

InChI=1S/C16H12ClN5O3S/c17-15-6-12(3-4-16(15)25-26(19,23)24)14-5-11(7-18)1-2-13(14)8-22-10-20-9-21-22/h1-6,9-10H,8H2,(H2,19,23,24)