N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[5-(m-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[5-[(3-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[5-[(3-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[5-[(3-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenoxy)acetamide Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(S2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S2/c1-12-3-2-4-13(9-12)11-27-18-21-20-17(28-18)19-16(23)10-26-15-7-5-14(6-8-15)22(24)25/h2-9H,10-11H2,1H3,(H,19,20,23)