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

Systemtic Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine Openeye Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2,4-dinitrophenyl)thio]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(2,4-dinitrophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2,4-dinitrophenyl)thio]-1,3,4-thiadiazol-2-yl]-p-anisyl-amine Formula: C16H13N5O5S2 MolecularWeight: 419.43492

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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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S2/c1-26-12-5-2-10(3-6-12)9-17-15-18-19-16(28-15)27-14-7-4-11(20(22)23)8-13(14)21(24)25/h2-8H,9H2,1H3,(H,17,18)