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

Systemtic Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=CC=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=CN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-2-13-6-7-17-14(9-19(25)26-18(17)8-13)11-27-20-23-22-12-24(20)16-5-3-4-15(21)10-16/h3-10,12H,2,11H2,1H3