[4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phenyl]-pyrrolidino-methanone Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCCC5

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C(=O)N5CCCC5

InChI

InChI=1S/C25H24N4O2S/c1-18-22(13-16-31-18)23-26-27-25(29(23)21-7-3-2-4-8-21)32-17-19-9-11-20(12-10-19)24(30)28-14-5-6-15-28/h2-4,7-13,16H,5-6,14-15,17H2,1H3