7-methyl-4-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=C(OC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CC4=CC=CC=C4)C5=C(OC=C5)C

InChI

InChI=1S/C25H21N3O3S/c1-16-8-9-21-19(13-23(29)31-22(21)12-16)15-32-25-27-26-24(20-10-11-30-17(20)2)28(25)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3