2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C16H15N5O4S/c1-12-2-7-15(21(22)23)8-16(12)26(24,25)19-14-5-3-13(4-6-14)9-20-11-17-10-18-20/h2-8,10-11,19H,9H2,1H3