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

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C(C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C(C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H23N3O3S/c1-14(2)26-22(16-6-8-18(28-4)9-7-16)24-25-23(26)30-13-17-12-21(27)29-20-11-15(3)5-10-19(17)20/h5-12,14H,13H2,1-4H3