3-nitro-N-[5-(2-phenylazanylethylamino)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-(2-phenylazanylethylamino)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCNC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c24-15(12-5-4-8-14(11-12)23(25)26)20-17-22-21-16(27-17)19-10-9-18-13-6-2-1-3-7-13/h1-8,11,18H,9-10H2,(H,19,21)(H,20,22,24)