3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile

Systemtic Name: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile Openeye Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanenitrile IUPAC Name: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile Traditional Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-(p-tolyl)propionitrile Formula: C13H13N3S2 MolecularWeight: 275.39242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(S2)C

Isomeric SMILES

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(S2)C

InChI

InChI=1S/C13H13N3S2/c1-9-3-5-11(6-4-9)7-12(8-14)18-13-16-15-10(2)17-13/h3-6,12H,7H2,1-2H3