7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C19H15N3O2S MolecularWeight: 349.4063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N3O2S/c1-12-7-8-15-14(10-17(23)24-16(15)9-12)11-25-19-20-18(21-22-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,20,21,22)