3-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetyl]coumarin Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H17N3O3S/c1-13-6-5-8-15(10-13)19-22-23-21(24(19)2)28-12-17(25)16-11-14-7-3-4-9-18(14)27-20(16)26/h3-11H,12H2,1-2H3