4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-nitro-benzamide Formula: C12H13N5O3S2 MolecularWeight: 339.39332

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O3S2/c1-2-14-11-15-16-12(22-11)21-6-8-4-3-7(10(13)18)5-9(8)17(19)20/h3-5H,2,6H2,1H3,(H2,13,18)(H,14,15)