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

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4-pentyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-pentyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-amyl-1,2,4-triazol-3-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C18H20ClN3O2S MolecularWeight: 377.8883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C18H20ClN3O2S/c1-3-4-5-6-22-11-20-21-18(22)25-10-13-8-17(23)24-16-7-12(2)15(19)9-14(13)16/h7-9,11H,3-6,10H2,1-2H3