2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-one

Systemtic Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-one Openeye Name: 4-allyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(2-thienyl)-1,2,4-triazol-3-one CAS Name: 2-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-one IUPAC Name: 2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-one Traditional Name: 4-allyl-2-[2-[4-(2-methoxyphenyl)piperazino]ethyl]-5-(2-thienyl)-1,2,4-triazol-3-one Formula: C22H27N5O2S MolecularWeight: 425.54708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)N(C(=N3)C4=CC=CS4)CC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)N(C(=N3)C4=CC=CS4)CC=C

InChI

InChI=1S/C22H27N5O2S/c1-3-10-26-21(20-9-6-17-30-20)23-27(22(26)28)16-13-24-11-14-25(15-12-24)18-7-4-5-8-19(18)29-2/h3-9,17H,1,10-16H2,2H3