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

Systemtic Name: 4-methyl-3-(2-methylphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-methyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-5-(o-tolyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methylphenyl)-5-[[4-(methylthio)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylphenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-methyl-3-[[4-(methylthio)benzyl]thio]-5-(o-tolyl)-1,2,4-triazole Formula: C18H19N3S2 MolecularWeight: 341.49356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=CC=C(C=C3)SC

InChI

InChI=1S/C18H19N3S2/c1-13-6-4-5-7-16(13)17-19-20-18(21(17)2)23-12-14-8-10-15(22-3)11-9-14/h4-11H,12H2,1-3H3