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

Systemtic Name: 3-[(7-methyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(7-methyl-2-oxo-chromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(7-methyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(7-methyl-2-oxochromen-4-yl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-7-methyl-chromen-4-yl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-14-7-8-17-16(12-19(25)27-18(17)11-14)13-28-21-23-22-20(26)24(21)10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,22,26)