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

Systemtic Name: 4-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-4-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-4-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5OC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5OC)C(C)C

InChI

InChI=1S/C29H27N3O3S/c1-18(2)23-16-24-20(15-27(33)35-26(24)14-19(23)3)17-36-29-31-30-28(22-12-8-9-13-25(22)34-4)32(29)21-10-6-5-7-11-21/h5-16,18H,17H2,1-4H3