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

Systemtic Name: [2-chloranyl-4-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Openeye Name: [2-chloro-4-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate CAS Name: sulfamic acid [2-chloro-4-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester IUPAC Name: [2-chloro-4-[4-cyano-3-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Traditional Name: sulfamic acid [2-chloro-4-[4-cyano-3-(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=C1C2=CC(=C(C=C2)OS(=O)(=O)N)Cl)CN3C=NC=N3)C#N

Isomeric SMILES

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

InChI

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