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

Systemtic Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-(1-naphthylmethylsulfanyl)-4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazole CAS Name: 3-[[(4-methylphenyl)thio]methyl]-5-(1-naphthalenylmethylthio)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-methylphenyl)sulfanylmethyl]-5-(naphthalen-1-ylmethylsulfanyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(1-naphthylmethylthio)-4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazole Formula: C27H23N3S2 MolecularWeight: 453.62162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23N3S2/c1-20-14-16-24(17-15-20)31-19-26-28-29-27(30(26)23-11-3-2-4-12-23)32-18-22-10-7-9-21-8-5-6-13-25(21)22/h2-17H,18-19H2,1H3