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

Systemtic Name: 3-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCCOC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NNC(=O)N3CCCOC)Cl

InChI

InChI=1S/C17H18ClN3O4S/c1-10-6-14-12(8-13(10)18)11(7-15(22)25-14)9-26-17-20-19-16(23)21(17)4-3-5-24-2/h6-8H,3-5,9H2,1-2H3,(H,19,23)