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

Systemtic Name: 7-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]coumarin Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C

InChI

InChI=1S/C13H12N4O2S/c1-8-3-4-10-9(6-12(18)19-11(10)5-8)7-20-13-14-15-16-17(13)2/h3-6H,7H2,1-2H3