(5E)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-(1H-benzimidazol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-(1H-benzimidazol-2-ylmethylidene)-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-(1H-benzimidazol-2-ylmethylene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=NC3=CC=CC=C3N2)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=NC3=CC=CC=C3N2)/C(=O)NC1=S

InChI

InChI=1S/C15H12N4O2S/c1-2-7-19-14(21)9(13(20)18-15(19)22)8-12-16-10-5-3-4-6-11(10)17-12/h2-6,8H,1,7H2,(H,16,17)(H,18,20,22)/b9-8+