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

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C20H16ClN3O2S MolecularWeight: 397.87794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O2S/c1-12-3-8-16-14(10-18(25)26-17(16)9-12)11-27-20-23-22-19(24(20)2)13-4-6-15(21)7-5-13/h3-10H,11H2,1-2H3