2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-[4-(2-thenyl)piperazino]ethanone Formula: C21H30N6OS2 MolecularWeight: 446.6325

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)CC5=CC=CS5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)CC5=CC=CS5

InChI

InChI=1S/C21H30N6OS2/c28-19(25-12-10-24(11-13-25)15-18-5-4-14-29-18)16-30-21-23-22-20(27(21)17-6-7-17)26-8-2-1-3-9-26/h4-5,14,17H,1-3,6-13,15-16H2