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

Systemtic Name: 7-methyl-4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

InChI

InChI=1S/C24H25N3O2S/c1-14(2)20-12-21-18(11-23(28)29-22(21)10-16(20)4)13-30-24-26-25-17(5)27(24)19-8-6-7-15(3)9-19/h6-12,14H,13H2,1-5H3