[4-[(4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(4-cyclohexyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-cyclohexyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(4-cyclohexyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H28N5OS2+ MolecularWeight: 406.58852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CCCCC2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=NN(C(=S)N1C2CCCCC2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H27N5OS2/c1-15-20-23(19(26)24(15)16-6-3-2-4-7-16)14-21-9-11-22(12-10-21)18(25)17-8-5-13-27-17/h5,8,13,16H,2-4,6-7,9-12,14H2,1H3/p+1