4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-8-methyl-coumarin Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CSC3=NNC(=N3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C19H14ClN3O3S/c1-10-15(24)7-6-14-12(8-16(25)26-17(10)14)9-27-19-21-18(22-23-19)11-2-4-13(20)5-3-11/h2-8,24H,9H2,1H3,(H,21,22,23)