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

Systemtic Name: 3-[(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(6,7-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(6,7-dimethyl-2-oxochromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-6,7-dimethyl-chromen-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-14-10-18-17(12-20(26)28-19(18)11-15(14)2)13-29-22-24-23-21(27)25(22)9-8-16-6-4-3-5-7-16/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,27)