2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]propanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]propanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]propanamide CAS Name: 2-(1-benzotriazolyl)-N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]propanamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]propanamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(E)-(5-nitro-2-thienyl)methyleneamino]propionamide Formula: C14H12N6O3S MolecularWeight: 344.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=CC=C(S1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)N/N=C/C1=CC=C(S1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H12N6O3S/c1-9(19-12-5-3-2-4-11(12)16-18-19)14(21)17-15-8-10-6-7-13(24-10)20(22)23/h2-9H,1H3,(H,17,21)/b15-8+