2-[(5-azanyl-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzenecarbonitrile Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)-sulfanyl-methyl]benzonitrile CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)-mercaptomethyl]benzonitrile IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)-sulfanylmethyl]benzonitrile Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)-mercapto-methyl]benzonitrile Formula: C10H8N4S2 MolecularWeight: 248.32732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(C2=NN=C(S2)N)S

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(C2=NN=C(S2)N)S

InChI

InChI=1S/C10H8N4S2/c11-5-6-3-1-2-4-7(6)8(15)9-13-14-10(12)16-9/h1-4,8,15H,(H2,12,14)