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

Systemtic Name: 6-chloranyl-7-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]coumarin Formula: C13H11ClN4O2S MolecularWeight: 322.77004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN4O2S/c1-7-3-11-9(5-10(7)14)8(4-12(19)20-11)6-21-13-15-16-17-18(13)2/h3-5H,6H2,1-2H3