N-(2,4-dimethylphenyl)-3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Openeye Name: 4-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]benzenesulfonamide Traditional Name: 4-[(4-allyl-1,2,4-triazol-3-yl)thio]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=CN3CC=C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=CN3CC=C)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O4S2/c1-4-9-23-12-20-21-19(23)29-18-8-6-15(11-17(18)24(25)26)30(27,28)22-16-7-5-13(2)10-14(16)3/h4-8,10-12,22H,1,9H2,2-3H3