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

Systemtic Name: 7-methyl-4-[[1-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-isobutyltetrazol-5-yl)sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[1-(2-methylpropyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-isobutyltetrazol-5-yl)thio]methyl]-7-methyl-coumarin Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3CC(C)C

InChI

InChI=1S/C16H18N4O2S/c1-10(2)8-20-16(17-18-19-20)23-9-12-7-15(21)22-14-6-11(3)4-5-13(12)14/h4-7,10H,8-9H2,1-3H3