(6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)-[(1-propyl-1,2,3,4-tetrazol-5-yl)methoxy]methanolate

Systemtic Name: (6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)-[(1-propyl-1,2,3,4-tetrazol-5-yl)methoxy]methanolate Openeye Name: (6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)-[(1-propyltetrazol-5-yl)methoxy]methanolate CAS Name: (6-methylsulfonylimino-1-cyclohexa-2,4-dienylidene)-[(1-propyl-5-tetrazolyl)methoxy]methanolate IUPAC Name: (6-methylsulfonyliminocyclohexa-2,4-dien-1-ylidene)-[(1-propyltetrazol-5-yl)methoxy]methanolate Traditional Name: (6-mesyliminocyclohexa-2,4-dien-1-ylidene)-[(1-propyltetrazol-5-yl)methoxy]methanolate Formula: C13H16N5O4S- MolecularWeight: 338.36224

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=C2C=CC=CC2=NS(=O)(=O)C)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)COC(=C2C=CC=CC2=NS(=O)(=O)C)[O-]

InChI

InChI=1S/C13H17N5O4S/c1-3-8-18-12(14-16-17-18)9-22-13(19)10-6-4-5-7-11(10)15-23(2,20)21/h4-7,19H,3,8-9H2,1-2H3/p-1