4-methyl-3-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-5-(p-tolylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-methyl-3-[5-methyl-1-(4-nitrophenyl)-3-pyrazolyl]-5-[(4-methylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-methylbenzyl)thio]-5-[5-methyl-1-(4-nitrophenyl)pyrazol-3-yl]-1,2,4-triazole Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=NN(C(=C3)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)C3=NN(C(=C3)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O2S/c1-14-4-6-16(7-5-14)13-30-21-23-22-20(25(21)3)19-12-15(2)26(24-19)17-8-10-18(11-9-17)27(28)29/h4-12H,13H2,1-3H3