N-(4-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(4-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-(p-tolyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(4-methylphenyl)-5-[(3-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(4-methylphenyl)-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(p-tolyl)amine Formula: C16H14N4O2S2 MolecularWeight: 358.43796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S2/c1-11-5-7-13(8-6-11)17-15-18-19-16(24-15)23-10-12-3-2-4-14(9-12)20(21)22/h2-9H,10H2,1H3,(H,17,18)