[4-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[[3-(2-methoxyphenyl)-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[[4-allyl-3-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-phenyl-methanone Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C(=S)N2CC=C)CN3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2S/c1-3-13-28-22(20-11-7-8-12-21(20)31-2)25-29(24(28)32)18-26-14-16-27(17-15-26)23(30)19-9-5-4-6-10-19/h3-12H,1,13-18H2,2H3