4-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C20H17ClN4O2S MolecularWeight: 412.89258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2N)SCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C20H17ClN4O2S/c1-11-5-3-4-6-14(11)19-23-24-20(25(19)22)28-10-13-8-18(26)27-17-7-12(2)16(21)9-15(13)17/h3-9H,10,22H2,1-2H3