[4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-3-nitro-phenyl]-phenyl-methanone Formula: C23H18N4O3S MolecularWeight: 430.47902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H18N4O3S/c1-15-8-6-7-11-19(15)26-16(2)24-25-23(26)31-21-13-12-18(14-20(21)27(29)30)22(28)17-9-4-3-5-10-17/h3-14H,1-2H3