1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C20H23N5O2S2/c1-27-16-6-3-2-5-15(16)23-10-12-24(13-11-23)18(26)8-9-25-19(21-22-20(25)28)17-7-4-14-29-17/h2-7,14H,8-13H2,1H3,(H,22,28)