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

Systemtic Name: 7-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 6-isopropyl-7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 6-isopropyl-7-methyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]coumarin Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C)C(C)C

InChI

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