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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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