1-[4-(2-phenoxyethyl)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-phenoxyethyl)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-phenoxyethyl)piperazin-1-yl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-[4-(2-phenoxyethyl)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-phenoxyethyl)piperazino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S2/c27-19(8-9-26-20(22-23-21(26)29)18-7-4-16-30-18)25-12-10-24(11-13-25)14-15-28-17-5-2-1-3-6-17/h1-7,16H,8-15H2,(H,23,29)