1-[4-(phenylmethyl)piperazin-1-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-benzylpiperazin-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-benzylpiperazino)ethanone Formula: C23H26N6OS MolecularWeight: 434.55714

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H26N6OS/c1-2-12-29-22(20-8-10-24-11-9-20)25-26-23(29)31-18-21(30)28-15-13-27(14-16-28)17-19-6-4-3-5-7-19/h2-11H,1,12-18H2