7-bromanyl-4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-bromanyl-4-[[4-(3-chloranyl-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[[4-(3-chloro-4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[[4-(3-chloro-4-methyl-phenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C19H13BrClN3O2S MolecularWeight: 462.74742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)Br)Cl

InChI

InChI=1S/C19H13BrClN3O2S/c1-11-2-4-14(8-16(11)21)24-10-22-23-19(24)27-9-12-6-18(25)26-17-7-13(20)3-5-15(12)17/h2-8,10H,9H2,1H3