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

Systemtic Name: 6,7-dimethyl-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6,7-dimethyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 6,7-dimethyl-4-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6,7-dimethyl-4-[[(1-phenyltetrazol-5-yl)thio]methyl]coumarin Formula: C19H16N4O2S MolecularWeight: 364.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C19H16N4O2S/c1-12-8-16-14(10-18(24)25-17(16)9-13(12)2)11-26-19-20-21-22-23(19)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3