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

Systemtic Name: 6-chloranyl-4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C20H15Cl2N3O2S MolecularWeight: 432.323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)Cl

InChI

InChI=1S/C20H15Cl2N3O2S/c1-11-3-4-14(7-16(11)21)25-10-23-24-20(25)28-9-13-6-19(26)27-18-5-12(2)17(22)8-15(13)18/h3-8,10H,9H2,1-2H3