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

Systemtic Name: N-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2,3-dimethylphenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (2,3-dimethylphenyl)-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S2/c1-11-4-3-5-15(12(11)2)18-16-19-20-17(25-16)24-10-13-6-8-14(9-7-13)21(22)23/h3-9H,10H2,1-2H3,(H,18,19)