2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-allyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[[5-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-allyl-5-p-anisyl-1,2,4-triazol-3-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2S/c1-3-13-30-23(18-20-9-11-22(32-2)12-10-20)26-27-25(30)33-19-24(31)29-16-14-28(15-17-29)21-7-5-4-6-8-21/h3-12H,1,13-19H2,2H3