4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[4-(2-furylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[[4-(2-furanylmethyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(furan-2-ylmethyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one Traditional Name: 4-[[[4-(2-furfuryl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]-6,7-dimethyl-coumarin Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CO4)N5CCCC5)C

InChI

InChI=1S/C23H24N4O3S/c1-15-10-19-17(12-21(28)30-20(19)11-16(15)2)14-31-23-25-24-22(26-7-3-4-8-26)27(23)13-18-6-5-9-29-18/h5-6,9-12H,3-4,7-8,13-14H2,1-2H3