5-[(1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-allylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-prop-2-enyl-3-indolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-allylindol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H13N3O2S MolecularWeight: 311.35832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C=CCN1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H13N3O2S/c1-2-7-19-9-10(11-5-3-4-6-13(11)19)8-12-14(20)17-16(22)18-15(12)21/h2-6,8-9H,1,7H2,(H2,17,18,20,21,22)