6,7-dimethyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6,7-dimethyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethyl-chromen-2-one CAS Name: 6,7-dimethyl-4-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]chromen-2-one Traditional Name: 4-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethyl-coumarin Formula: C17H19N3O2S MolecularWeight: 329.41666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NN=CN3C(C)C)C

InChI

InChI=1S/C17H19N3O2S/c1-10(2)20-9-18-19-17(20)23-8-13-7-16(21)22-15-6-12(4)11(3)5-14(13)15/h5-7,9-10H,8H2,1-4H3