2-(2,4-dinitrophenyl)sulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 2-(2,4-dinitrophenyl)sulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 2-(2,4-dinitrophenyl)sulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 2-[(2,4-dinitrophenyl)thio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 2-(2,4-dinitrophenyl)sulfanyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 2-[(2,4-dinitrophenyl)thio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C13H10N6O4S MolecularWeight: 346.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C13H10N6O4S/c1-7-5-8(2)17-12(14-7)15-13(16-17)24-11-4-3-9(18(20)21)6-10(11)19(22)23/h3-6H,1-2H3