6,7-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=N3)C)C

InChI

InChI=1S/C15H15N3O2S/c1-8-4-12-11(7-21-15-16-10(3)17-18-15)6-14(19)20-13(12)5-9(8)2/h4-6H,7H2,1-3H3,(H,16,17,18)