1-(4-nitrophenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]methanimine

Systemtic Name: 1-(4-nitrophenyl)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]methanimine Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)methanimine CAS Name: 1-(4-nitrophenyl)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]methanimine IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(4-nitrophenyl)methanimine Traditional Name: (E)-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(4-nitrobenzylidene)amine Formula: C16H12N4O2S2 MolecularWeight: 356.42208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O2S2/c21-20(22)14-8-6-12(7-9-14)10-17-15-18-19-16(24-15)23-11-13-4-2-1-3-5-13/h1-10H,11H2/b17-10+