4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C(C)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C(C)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C24H25N3O3S/c1-14(2)27-23(17-7-9-19(29-5)10-8-17)25-26-24(27)31-13-18-12-21(28)30-22-16(4)15(3)6-11-20(18)22/h6-12,14H,13H2,1-5H3