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

Systemtic Name: 1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(4-m-anisoylpiperazino)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H23N5O3S2/c1-29-16-5-2-4-15(14-16)20(28)25-11-9-24(10-12-25)18(27)7-8-26-19(22-23-21(26)30)17-6-3-13-31-17/h2-6,13-14H,7-12H2,1H3,(H,23,30)