2-cyano-3-oxidanylidene-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(phenylmethyl)amino]but-1-en-1-olate

Systemtic Name: 2-cyano-3-oxidanylidene-4-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(phenylmethyl)amino]but-1-en-1-olate Openeye Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(benzylamino)-2-cyano-3-oxo-but-1-en-1-olate CAS Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-cyano-3-oxo-1-[(phenylmethyl)amino]-1-buten-1-olate IUPAC Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(benzylamino)-2-cyano-3-oxobut-1-en-1-olate Traditional Name: 4-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-1-(benzylamino)-2-cyano-3-keto-but-1-en-1-olate Formula: C20H16N5O2S2- MolecularWeight: 422.50334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C(C#N)C(=O)CSC2=NN=C(S2)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C20H17N5O2S2/c21-11-16(18(27)22-12-14-7-3-1-4-8-14)17(26)13-28-20-25-24-19(29-20)23-15-9-5-2-6-10-15/h1-10,22,27H,12-13H2,(H,23,24)/p-1