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

Systemtic Name: 3-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]coumarin Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC3=CC=CC=C3OC2=O)C4=CC=CC=C4OC

InChI

InChI=1S/C21H17N3O4S/c1-24-19(14-8-4-6-10-18(14)27-2)22-23-21(24)29-12-16(25)15-11-13-7-3-5-9-17(13)28-20(15)26/h3-11H,12H2,1-2H3