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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-1-(4-methylpiperazino)ethanone Formula: C13H24N6OS MolecularWeight: 312.43426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)N2CCN(CC2)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)N2CCN(CC2)C

InChI

InChI=1S/C13H24N6OS/c1-3-4-5-11-15-16-13(19(11)14)21-10-12(20)18-8-6-17(2)7-9-18/h3-10,14H2,1-2H3