7,8-dimethyl-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(1-isopropyltetrazol-5-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C(C)C)C

InChI

InChI=1S/C16H18N4O2S/c1-9(2)20-16(17-18-19-20)23-8-12-7-14(21)22-15-11(4)10(3)5-6-13(12)15/h5-7,9H,8H2,1-4H3