3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-ethyl-2-oxochromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(7-ethyl-2-keto-chromen-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC

InChI

InChI=1S/C18H21N3O4S/c1-3-12-5-6-14-13(10-16(22)25-15(14)9-12)11-26-18-20-19-17(23)21(18)7-4-8-24-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)