4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoic acid

Systemtic Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoic acid Openeye Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyano-pentanoic acid CAS Name: 4-(benzenecarbonothioylthio)-2-(1-chloroethyl)-4-cyanopentanoic acid IUPAC Name: 4-(benzenecarbonothioylsulfanyl)-2-(1-chloroethyl)-4-cyanopentanoic acid Traditional Name: 4-(benzenecarbonothioylthio)-2-(1-chloroethyl)-4-cyano-valeric acid Formula: C15H16ClNO2S2 MolecularWeight: 341.87604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(C)(C#N)SC(=S)C1=CC=CC=C1)C(=O)O)Cl

Isomeric SMILES

CC(C(CC(C)(C#N)SC(=S)C1=CC=CC=C1)C(=O)O)Cl

InChI

InChI=1S/C15H16ClNO2S2/c1-10(16)12(13(18)19)8-15(2,9-17)21-14(20)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3,(H,18,19)