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

Systemtic Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl] sulfamate Openeye Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl] sulfamate CAS Name: sulfamic acid [4-(1,2,4-triazol-1-ylmethyl)phenyl] ester IUPAC Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl] sulfamate Traditional Name: sulfamic acid [4-(1,2,4-triazol-1-ylmethyl)phenyl] ester Formula: C9H10N4O3S MolecularWeight: 254.2657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC=N2)OS(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC=N2)OS(=O)(=O)N

InChI

InChI=1S/C9H10N4O3S/c10-17(14,15)16-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2,(H2,10,14,15)