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

Systemtic Name: 4-[[4-azanyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C18H12Cl2N4O3S MolecularWeight: 435.28388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2CSC3=NN=C(N3N)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H12Cl2N4O3S/c19-10-1-3-13(14(20)6-10)17-22-23-18(24(17)21)28-8-9-5-16(26)27-15-7-11(25)2-4-12(9)15/h1-7,25H,8,21H2