7-nitro-N-prop-2-ynyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 7-nitro-N-prop-2-ynyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Openeye Name: 7-nitro-N-prop-2-ynyl-5-(2-thienyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 7-nitro-N-prop-2-ynyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine IUPAC Name: 7-nitro-N-prop-2-ynyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-amine Traditional Name: [7-nitro-5-(2-thienyl)-3H-1,4-benzodiazepin-2-yl]-propargyl-amine Formula: C16H12N4O2S MolecularWeight: 324.35708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CS3

Isomeric SMILES

C#CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=NC1)C3=CC=CS3

InChI

InChI=1S/C16H12N4O2S/c1-2-7-17-15-10-18-16(14-4-3-8-23-14)12-9-11(20(21)22)5-6-13(12)19-15/h1,3-6,8-9H,7,10H2,(H,17,19)