3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)C

InChI

InChI=1S/C18H21N3O4S/c1-11-7-14-13(9-16(22)25-15(14)8-12(11)2)10-26-18-20-19-17(23)21(18)5-4-6-24-3/h7-9H,4-6,10H2,1-3H3,(H,19,23)