7-methyl-4-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[5-(2-methylfuran-3-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-isopropyl-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]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[4-benzyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=C(OC=C5)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3CC4=CC=CC=C4)C5=C(OC=C5)C)C(C)C

InChI

InChI=1S/C28H27N3O3S/c1-17(2)23-14-24-21(13-26(32)34-25(24)12-18(23)3)16-35-28-30-29-27(22-10-11-33-19(22)4)31(28)15-20-8-6-5-7-9-20/h5-14,17H,15-16H2,1-4H3