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

Systemtic Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one CAS Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]chromen-2-one Traditional Name: 3-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]coumarin Formula: C20H15N3O3S MolecularWeight: 377.4164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O3S/c1-23-18(13-7-3-2-4-8-13)21-22-20(23)27-12-16(24)15-11-14-9-5-6-10-17(14)26-19(15)25/h2-11H,12H2,1H3