N-but-3-yn-2-yl-7-nitro-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: N-but-3-yn-2-yl-7-nitro-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: N-(1-methylprop-2-ynyl)-7-nitro-5-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: N-but-3-yn-2-yl-7-nitro-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: N-but-3-yn-2-yl-7-nitro-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: 1-methylprop-2-ynyl-[7-nitro-5-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C17H14N4O2S MolecularWeight: 338.38366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CS3

Isomeric SMILES

CC(C#C)NC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CS3

InChI

InChI=1S/C17H14N4O2S/c1-3-11(2)19-16-10-18-17(15-5-4-8-24-15)13-9-12(21(22)23)6-7-14(13)20-16/h1,4-9,11H,10H2,2H3,(H,19,20)