2-(2-azanylidene-3-butyl-benzimidazol-1-yl)-1-(4-nitrothiophen-2-yl)ethanone

Systemtic Name: 2-(2-azanylidene-3-butyl-benzimidazol-1-yl)-1-(4-nitrothiophen-2-yl)ethanone Openeye Name: 2-(3-butyl-2-imino-benzimidazol-1-yl)-1-(4-nitro-2-thienyl)ethanone CAS Name: 2-(3-butyl-2-imino-1-benzimidazolyl)-1-(4-nitro-2-thiophenyl)ethanone IUPAC Name: 2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-nitrothiophen-2-yl)ethanone Traditional Name: 2-(3-butyl-2-imino-benzimidazol-1-yl)-1-(4-nitro-2-thienyl)ethanone Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CS3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=CC=CC=C2N(C1=N)CC(=O)C3=CC(=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-2-3-8-19-13-6-4-5-7-14(13)20(17(19)18)10-15(22)16-9-12(11-25-16)21(23)24/h4-7,9,11,18H,2-3,8,10H2,1H3