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

Systemtic Name: 1-[4-(diphenylmethyl)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-benzhydrylpiperazin-1-yl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-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-benzhydrylpiperazino)ethanone Formula: C29H30N6OS MolecularWeight: 510.6531

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H30N6OS/c1-2-17-35-28(25-13-15-30-16-14-25)31-32-29(35)37-22-26(36)33-18-20-34(21-19-33)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h2-16,27H,1,17-22H2