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

Systemtic Name: 4-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromanyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromo-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-bromochromen-2-one Traditional Name: 4-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-7-bromo-coumarin Formula: C19H15BrN4O2S MolecularWeight: 443.317

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C19H15BrN4O2S/c1-11-2-4-12(5-3-11)18-22-23-19(24(18)21)27-10-13-8-17(25)26-16-9-14(20)6-7-15(13)16/h2-9H,10,21H2,1H3