3-nitro-4-(2-phenylazanylethylamino)-2-(1,3,4-thiadiazol-2-yl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NCCNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NCCNC2=C(C(=C(C=C2)C(=O)N)C3=NN=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S/c18-16(24)12-6-7-13(20-9-8-19-11-4-2-1-3-5-11)15(23(25)26)14(12)17-22-21-10-27-17/h1-7,10,19-20H,8-9H2,(H2,18,24)