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

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

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