2-[[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]methylidene]propanedinitrile Openeye Name: 2-[[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]methylene]propanedinitrile CAS Name: 2-[[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]methylidene]propanedinitrile IUPAC Name: 2-[[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]methylidene]propanedinitrile Traditional Name: 2-[[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]amino]methylene]malononitrile Formula: C13H9N5S2 MolecularWeight: 299.37406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)NC=C(C#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)NC=C(C#N)C#N

InChI

InChI=1S/C13H9N5S2/c14-6-11(7-15)8-16-12-17-18-13(20-12)19-9-10-4-2-1-3-5-10/h1-5,8H,9H2,(H,16,17)