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

Systemtic Name: 6,7-dimethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]coumarin Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C)C

InChI

InChI=1S/C14H14N4O2S/c1-8-4-11-10(7-21-14-15-16-17-18(14)3)6-13(19)20-12(11)5-9(8)2/h4-6H,7H2,1-3H3