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

Systemtic Name: 4-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-coumarin Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3N)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H15ClN4O2S/c1-11-6-7-13-12(9-17(25)26-16(13)8-11)10-27-19-23-22-18(24(19)21)14-4-2-3-5-15(14)20/h2-9H,10,21H2,1H3