2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[[2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-keto-ethyl]thio]-4,6-dimethyl-nicotinonitrile Formula: C18H19ClN4O3S3 MolecularWeight: 471.01646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C18H19ClN4O3S3/c1-12-9-13(2)21-18(14(12)10-20)27-11-16(24)22-5-7-23(8-6-22)29(25,26)17-4-3-15(19)28-17/h3-4,9H,5-8,11H2,1-2H3