5-azanyl-4-[(E)-(2-azanyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-3-sulfanylidene-1,2-dihydro-1,2,4-triazine-6-carbonitrile

Systemtic Name: 5-azanyl-4-[(E)-(2-azanyl-4-oxidanylidene-chromen-3-yl)methylideneamino]-3-sulfanylidene-1,2-dihydro-1,2,4-triazine-6-carbonitrile Openeye Name: 5-amino-4-[(E)-(2-amino-4-oxo-chromen-3-yl)methyleneamino]-3-thioxo-1,2-dihydro-1,2,4-triazine-6-carbonitrile CAS Name: 5-amino-4-[(E)-(2-amino-4-oxo-1-benzopyran-3-yl)methylideneamino]-3-sulfanylidene-1,2-dihydro-1,2,4-triazine-6-carbonitrile IUPAC Name: 5-amino-4-[(E)-(2-amino-4-oxochromen-3-yl)methylideneamino]-3-sulfanylidene-1,2-dihydro-1,2,4-triazine-6-carbonitrile Traditional Name: 5-amino-4-[(E)-(2-amino-4-keto-chromen-3-yl)methyleneamino]-3-thioxo-1,2-dihydro-1,2,4-triazine-6-carbonitrile Formula: C14H11N7O2S MolecularWeight: 341.34784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N7O2S/c15-5-9-12(16)21(14(24)20-19-9)18-6-8-11(22)7-3-1-2-4-10(7)23-13(8)17/h1-4,6,19H,16-17H2,(H,20,24)/b18-6+