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

Systemtic Name: 6-chloranyl-7-ethyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]coumarin Formula: C14H13ClN4O2S MolecularWeight: 336.79662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C)Cl

InChI

InChI=1S/C14H13ClN4O2S/c1-3-8-4-12-10(6-11(8)15)9(5-13(20)21-12)7-22-14-16-17-18-19(14)2/h4-6H,3,7H2,1-2H3