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

Systemtic Name: 4-methyl-3-[(4-methylphenyl)sulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-nitrophenyl)methylsulfanyl]-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 4-methyl-3-[[(4-methylphenyl)thio]methyl]-5-[(4-nitrophenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-[(4-methylphenyl)sulfanylmethyl]-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[(4-nitrobenzyl)thio]-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C18H18N4O2S2 MolecularWeight: 386.49112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O2S2/c1-13-3-9-16(10-4-13)25-12-17-19-20-18(21(17)2)26-11-14-5-7-15(8-6-14)22(23)24/h3-10H,11-12H2,1-2H3