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

Systemtic Name: 7,8-dimethyl-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC=CC=C4C)C

InChI

InChI=1S/C21H19N3O2S/c1-13-8-9-17-16(10-19(25)26-20(17)15(13)3)11-27-21-23-22-12-24(21)18-7-5-4-6-14(18)2/h4-10,12H,11H2,1-3H3