4,5,6-trimethyl-2-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyridine-3-carbonitrile

Systemtic Name: 4,5,6-trimethyl-2-sulfanylidene-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyridine-3-carbonitrile Openeye Name: 4,5,6-trimethyl-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-pyridine-3-carbonitrile CAS Name: 4,5,6-trimethyl-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-2-sulfanylidene-3-pyridinecarbonitrile IUPAC Name: 4,5,6-trimethyl-2-sulfanylidene-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 4,5,6-trimethyl-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]-2-thioxo-nicotinonitrile Formula: C19H23N4OS2+ MolecularWeight: 387.54212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(N(C(=S)C(=C1C)C#N)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C

InChI

InChI=1S/C19H22N4OS2/c1-13-14(2)16(11-20)19(25)23(15(13)3)12-21-6-8-22(9-7-21)18(24)17-5-4-10-26-17/h4-5,10H,6-9,12H2,1-3H3/p+1