1-(1-methylpyrrol-2-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-methylpyrrol-2-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-methylpyrrol-2-yl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-methyl-2-pyrrolyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-methylpyrrol-2-yl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-methylpyrrol-2-yl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C22H22N4OS2/c1-25-12-5-10-19(25)20(27)16-29-22-24-23-21(15-18-9-6-14-28-18)26(22)13-11-17-7-3-2-4-8-17/h2-10,12,14H,11,13,15-16H2,1H3