4-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(2-methylallylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(2-methylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(2-methylallylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzonitrile Formula: C14H13N3S3 MolecularWeight: 319.46812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(=C)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H13N3S3/c1-10(2)8-18-13-16-17-14(20-13)19-9-12-5-3-11(7-15)4-6-12/h3-6H,1,8-9H2,2H3