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

Systemtic Name: 6-chloranyl-4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C19H13Cl2N3O2S MolecularWeight: 418.29642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC(=CC=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC(=CC=C4)Cl)Cl

InChI

InChI=1S/C19H13Cl2N3O2S/c1-11-5-17-15(8-16(11)21)12(6-18(25)26-17)9-27-19-23-22-10-24(19)14-4-2-3-13(20)7-14/h2-8,10H,9H2,1H3