2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C23H26N6O2S/c1-31-20-8-6-18(7-9-20)27-11-13-28(14-12-27)21(30)16-32-23-26-25-22(29(23)19-4-5-19)17-3-2-10-24-15-17/h2-3,6-10,15,19H,4-5,11-14,16H2,1H3