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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-ethyl-coumarin Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-3-13-4-9-17-15(11-19(26)27-18(17)10-13)12-28-21-24-23-20(25(21)2)14-5-7-16(22)8-6-14/h4-11H,3,12H2,1-2H3