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

Systemtic Name: 6-chloranyl-4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=CN3C4=CC=CC=C4OC)Cl

InChI

InChI=1S/C20H16ClN3O3S/c1-12-7-18-14(9-15(12)21)13(8-19(25)27-18)10-28-20-23-22-11-24(20)16-5-3-4-6-17(16)26-2/h3-9,11H,10H2,1-2H3