4-[(E)-(2-azanyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-3-sulfanylidene-1,2,4-triazinane-5,6-dione

Systemtic Name: 4-[(E)-(2-azanyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-3-sulfanylidene-1,2,4-triazinane-5,6-dione Openeye Name: 4-[(E)-(2-amino-4-oxo-chromen-3-yl)methyleneamino]-3-thioxo-1,2,4-triazinane-5,6-dione CAS Name: 4-[(E)-(2-amino-4-oxo-1-benzopyran-3-yl)methylideneamino]-3-sulfanylidene-1,2,4-triazinane-5,6-dione IUPAC Name: 4-[(E)-(2-amino-4-oxochromen-3-yl)methylideneamino]-3-sulfanylidene-1,2,4-triazinane-5,6-dione Traditional Name: 4-[(E)-(2-amino-4-keto-chromen-3-yl)methyleneamino]-3-thioxo-1,2,4-triazinane-5,6-quinone Formula: C13H9N5O4S MolecularWeight: 331.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(O2)N)C=NN3C(=O)C(=O)NNC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(O2)N)/C=N/N3C(=O)C(=O)NNC3=S

InChI

InChI=1S/C13H9N5O4S/c14-10-7(9(19)6-3-1-2-4-8(6)22-10)5-15-18-12(21)11(20)16-17-13(18)23/h1-5H,14H2,(H,16,20)(H,17,23)/b15-5+