3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-7,8-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(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCCOC)C

InChI

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