2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)C)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(S3)C)N4CCCC4

InChI

InChI=1S/C20H22N4OS2/c1-14-5-8-16(9-6-14)24-19(23-11-3-4-12-23)21-22-20(24)26-13-17(25)18-10-7-15(2)27-18/h5-10H,3-4,11-13H2,1-2H3