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

Systemtic Name: 7-bromanyl-4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C20H15BrClN3O2S MolecularWeight: 476.774

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15BrClN3O2S/c1-2-25-19(12-3-6-15(22)7-4-12)23-24-20(25)28-11-13-9-18(26)27-17-10-14(21)5-8-16(13)17/h3-10H,2,11H2,1H3