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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[1-(m-tolyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[1-(3-methylphenyl)-5-tetrazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[1-(3-methylphenyl)tetrazol-5-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[1-(m-tolyl)tetrazol-5-yl]thio]methyl]coumarin Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=CC(=C4)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=NN3C4=CC=CC(=C4)C)Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-3-13-8-18-16(10-17(13)21)14(9-19(26)27-18)11-28-20-22-23-24-25(20)15-6-4-5-12(2)7-15/h4-10H,3,11H2,1-2H3