5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2,5-dimethylphenyl)iminomethyl]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H21N3O2S/c1-4-15-7-9-16(10-8-15)24-20(26)17(19(25)23-21(24)27)12-22-18-11-13(2)5-6-14(18)3/h5-12,17H,4H2,1-3H3,(H,23,25,27)