(2R)-3-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Openeye Name: (2R)-3-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanenitrile Traditional Name: (2R)-3-(p-tolyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H14N4S2 MolecularWeight: 326.43916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C16H14N4S2/c1-11-4-6-12(7-5-11)9-13(10-17)22-16-18-15(19-20-16)14-3-2-8-21-14/h2-8,13H,9H2,1H3,(H,18,19,20)/t13-/m1/s1