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

Systemtic Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C17H14N4S2 MolecularWeight: 338.44986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC#N)CSC3=CC=CC=C3

InChI

InChI=1S/C17H14N4S2/c18-11-12-22-17-20-19-16(13-23-15-9-5-2-6-10-15)21(17)14-7-3-1-4-8-14/h1-10H,12-13H2