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

Systemtic Name: 4-cyclopropyl-3-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3C4CC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3C4CC4)C

InChI

InChI=1S/C17H17N3O3S/c1-9-3-6-13-11(7-14(21)23-15(13)10(9)2)8-24-17-19-18-16(22)20(17)12-4-5-12/h3,6-7,12H,4-5,8H2,1-2H3,(H,18,22)