3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Openeye Name: 4-phenyl-3-(3-phenylpropylsulfanyl)-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[[(4-methylphenyl)thio]methyl]-4-phenyl-5-(3-phenylpropylthio)-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Traditional Name: 4-phenyl-3-(3-phenylpropylthio)-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C25H25N3S2 MolecularWeight: 431.6161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCCCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3S2/c1-20-14-16-23(17-15-20)30-19-24-26-27-25(28(24)22-12-6-3-7-13-22)29-18-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-17H,8,11,18-19H2,1H3