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

Systemtic Name: [2-chloranyl-4-[2-cyano-4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Openeye Name: [2-chloro-4-[2-cyano-4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate CAS Name: sulfamic acid [2-chloro-4-[2-cyano-4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] ester IUPAC Name: [2-chloro-4-[2-cyano-4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl] sulfamate Traditional Name: sulfamic acid [2-chloro-4-[2-cyano-4-(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=C1CN2C=NC=N2)C#N)C3=CC(=C(C=C3)OS(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=NC=N2)C#N)C3=CC(=C(C=C3)OS(=O)(=O)N)Cl

InChI

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