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

Systemtic Name: [4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazino]-(2-thienyl)methanone Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N5O2S2/c1-26-15-6-4-14(5-7-15)17-20-19(27)24(21-17)13-22-8-10-23(11-9-22)18(25)16-3-2-12-28-16/h2-7,12H,8-11,13H2,1H3,(H,20,21,27)