4-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methoxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methoxy-coumarin Formula: C19H14Cl2N4O3S MolecularWeight: 449.31046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H14Cl2N4O3S/c1-27-12-3-5-13-10(6-17(26)28-16(13)8-12)9-29-19-24-23-18(25(19)22)14-4-2-11(20)7-15(14)21/h2-8H,9,22H2,1H3