4-(ethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(ethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(ethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(ethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-(ethylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(ethylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S2/c1-3-14-9-6-5-8(7-10(9)18(20)21)11(19)15-12-16-17-13(23-12)22-4-2/h5-7,14H,3-4H2,1-2H3,(H,15,16,19)