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

Systemtic Name: 2-[[5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(2-methyl-3-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(2-methyl-3-furanyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(2-methylfuran-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(2-methyl-3-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=C(OC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)N3CCCC3)C4=C(OC=C4)C

InChI

InChI=1S/C20H22N4O2S/c1-14-6-5-7-16(12-14)24-19(17-8-11-26-15(17)2)21-22-20(24)27-13-18(25)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10,13H2,1-2H3