3-(4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile

Systemtic Name: 3-(4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile Openeye Name: 3-(p-tolyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile CAS Name: 3-(4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylthio)propanenitrile IUPAC Name: 3-(4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanenitrile Traditional Name: 3-(p-tolyl)-2-(1,3,4-thiadiazol-2-ylthio)propionitrile Formula: C12H11N3S2 MolecularWeight: 261.36584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=CS2

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NN=CS2

InChI

InChI=1S/C12H11N3S2/c1-9-2-4-10(5-3-9)6-11(7-13)17-12-15-14-8-16-12/h2-5,8,11H,6H2,1H3