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

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[(1-cyclopropyl-5-tetrazolyl)thio]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[(1-cyclopropyltetrazol-5-yl)thio]methyl]-7,8-dimethyl-coumarin Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NN=NN3C4CC4)C

InChI

InChI=1S/C16H16N4O2S/c1-9-3-6-13-11(7-14(21)22-15(13)10(9)2)8-23-16-17-18-19-20(16)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3