4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-benzenesulfonamide Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)S(=O)(=O)NC(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O4S2/c1-12(2)22-30(27,28)15-9-10-18(17(11-15)24(25)26)29-19-21-20-14(4)23(19)16-8-6-5-7-13(16)3/h5-12,22H,1-4H3