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

Systemtic Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone CAS Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 2-[[5-(2-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-1-(1-methylpyrrol-2-yl)ethanone Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C=CC=C1C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H24N4O2S/c1-27-15-8-12-20(27)21(29)17-31-24-26-25-23(19-11-6-7-13-22(19)30-2)28(24)16-14-18-9-4-3-5-10-18/h3-13,15H,14,16-17H2,1-2H3