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

Systemtic Name: N-[5-[2-(4-methylphenoxy)ethylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(4-methylphenoxy)ethylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[[2-(4-methylphenoxy)ethylthio]methyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[2-(4-methylphenoxy)ethylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[[2-(4-methylphenoxy)ethylthio]methyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCSCC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S2/c1-13-2-8-16(9-3-13)27-10-11-28-12-17-21-22-19(29-17)20-18(24)14-4-6-15(7-5-14)23(25)26/h2-9H,10-12H2,1H3,(H,20,22,24)