[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-(3-nitrophenyl)sulfonyl-azanide

Systemtic Name: [1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-(3-nitrophenyl)sulfonyl-azanide Openeye Name: (3-nitrophenyl)sulfonyl-[1-(p-tolylmethyl)-1,2,4-triazol-3-yl]azanide CAS Name: [1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-(3-nitrophenyl)sulfonylazanide IUPAC Name: [1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-(3-nitrophenyl)sulfonylazanide Traditional Name: [1-(4-methylbenzyl)-1,2,4-triazol-3-yl]-(3-nitrophenyl)sulfonyl-azanide Formula: C16H14N5O4S- MolecularWeight: 372.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC(=N2)[N-]S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC(=N2)[N-]S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N5O4S/c1-12-5-7-13(8-6-12)10-20-11-17-16(18-20)19-26(24,25)15-4-2-3-14(9-15)21(22)23/h2-9,11H,10H2,1H3/q-1