2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C12H23N6OS+ MolecularWeight: 299.41562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H22N6OS/c1-9(2)11-14-15-12(18(11)13)20-8-10(19)17-6-4-16(3)5-7-17/h9H,4-8,13H2,1-3H3/p+1