(E)-1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)C=CC4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C22H25N5OS2/c1-2-17-5-7-18(8-6-17)21-23-22(29)27(24-21)16-25-11-13-26(14-12-25)20(28)10-9-19-4-3-15-30-19/h3-10,15H,2,11-14,16H2,1H3,(H,23,24,29)/b10-9+