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

Systemtic Name: 7-bromanyl-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-bromo-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-bromo-4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-bromo-4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-bromo-4-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]coumarin Formula: C19H20BrN3O2S MolecularWeight: 434.35

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C19H20BrN3O2S/c1-12-21-22-19(23(12)15-5-3-2-4-6-15)26-11-13-9-18(24)25-17-10-14(20)7-8-16(13)17/h7-10,15H,2-6,11H2,1H3