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

Systemtic Name: 6-chloranyl-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3C)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-12-8-18-16(10-17(12)22)14(9-19(26)28-18)11-29-21-24-23-20(25(21)2)13-4-6-15(27-3)7-5-13/h4-10H,11H2,1-3H3