N-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]-p-anisyl-amine Formula: C17H16N4O5S3 MolecularWeight: 452.52774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NN=C(S2)SC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S3/c1-26-12-5-3-11(4-6-12)10-18-16-19-20-17(28-16)27-15-8-7-13(29(2,24)25)9-14(15)21(22)23/h3-9H,10H2,1-2H3,(H,18,19)