2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: 2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]pentanedinitrile IUPAC Name: 2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: 2-[[(5-anilino-1,3,4-thiadiazol-2-yl)thio]methyl]glutaronitrile Formula: C14H13N5S2 MolecularWeight: 315.41652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(CCC#N)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NN=C(S2)SCC(CCC#N)C#N

InChI

InChI=1S/C14H13N5S2/c15-8-4-5-11(9-16)10-20-14-19-18-13(21-14)17-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,10H2,(H,17,18)