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

Systemtic Name: 8-methyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=C3C=CC(=C4C)O

InChI

InChI=1S/C21H19N3O3S/c1-12-4-6-14(7-5-12)20-22-23-21(24(20)3)28-11-15-10-18(26)27-19-13(2)17(25)9-8-16(15)19/h4-10,25H,11H2,1-3H3