7,8-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(4-methyl-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(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C)C

InChI

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