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

Systemtic Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-4-piperidyl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-4-piperidinyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[5-(4-methoxyphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[5-(4-methoxyphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]-4-piperidyl]-pyrrolidino-methanone Formula: C20H27N5O2S MolecularWeight: 401.52568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCC(CC3)C(=O)N4CCCC4

InChI

InChI=1S/C20H27N5O2S/c1-27-17-6-4-15(5-7-17)18-21-20(28)25(22-18)14-23-12-8-16(9-13-23)19(26)24-10-2-3-11-24/h4-7,16H,2-3,8-14H2,1H3,(H,21,22,28)