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

Systemtic Name: 6-chloranyl-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[5-(4-methoxyphenyl)-1H-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=NNC(=N3)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=N3)C4=CC=C(C=C4)OC)Cl

InChI

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