6,7-dimethyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=C(OC=C5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=C(N3C4=CC=CC=C4)C5=C(OC=C5)C)C

InChI

InChI=1S/C25H21N3O3S/c1-15-11-21-18(13-23(29)31-22(21)12-16(15)2)14-32-25-27-26-24(20-9-10-30-17(20)3)28(25)19-7-5-4-6-8-19/h4-13H,14H2,1-3H3