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

Systemtic Name: 7-methoxy-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-methoxy-chromen-2-one CAS Name: 7-methoxy-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-methoxychromen-2-one Traditional Name: 4-[[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC(=O)OC5=C4C=CC(=C5)OC

InChI

InChI=1S/C25H21N3O4S/c1-16-20(10-11-31-16)24-26-27-25(28(24)14-17-6-4-3-5-7-17)33-15-18-12-23(29)32-22-13-19(30-2)8-9-21(18)22/h3-13H,14-15H2,1-2H3