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

Systemtic Name: 6-chloranyl-7-ethyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C22H20ClN3O2S MolecularWeight: 425.9311

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=C(C=C4)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=C(C=C4)C)Cl

InChI

InChI=1S/C22H20ClN3O2S/c1-4-14-9-19-17(11-18(14)23)16(10-20(27)28-19)12-29-22-25-24-21(26(22)3)15-7-5-13(2)6-8-15/h5-11H,4,12H2,1-3H3