2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenyl-5-(p-tolylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[[(4-methylphenyl)thio]methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-phenyl-5-[(p-tolylthio)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C18H16N4S2 MolecularWeight: 352.47644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC#N

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC#N

InChI

InChI=1S/C18H16N4S2/c1-14-7-9-16(10-8-14)24-13-17-20-21-18(23-12-11-19)22(17)15-5-3-2-4-6-15/h2-10H,12-13H2,1H3