5-(3,5-dinitrophenyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(3,5-dinitrophenyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-(3,5-dinitrophenyl)-N-(2-methoxy-5-methyl-phenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(3,5-dinitrophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(3,5-dinitrophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(3,5-dinitrophenyl)-1,3,4-thiadiazol-2-yl]-(2-methoxy-5-methyl-phenyl)amine Formula: C16H13N5O5S MolecularWeight: 387.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O5S/c1-9-3-4-14(26-2)13(5-9)17-16-19-18-15(27-16)10-6-11(20(22)23)8-12(7-10)21(24)25/h3-8H,1-2H3,(H,17,19)