6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Systemtic Name: 6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine Openeye Name: 6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine CAS Name: 6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-[(4-nitrophenyl)methylthio]-[1,2,4]triazolo[1,5-a]pyrimidine IUPAC Name: 6-[(2,5-dimethylphenyl)methyl]-5,7-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidine Traditional Name: 6-(2,5-dimethylbenzyl)-5,7-dimethyl-2-[(4-nitrobenzyl)thio]-[1,2,4]triazolo[1,5-a]pyrimidine Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CC2=C(N3C(=NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])N=C2C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CC2=C(N3C(=NC(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])N=C2C)C

InChI

InChI=1S/C23H23N5O2S/c1-14-5-6-15(2)19(11-14)12-21-16(3)24-22-25-23(26-27(22)17(21)4)31-13-18-7-9-20(10-8-18)28(29)30/h5-11H,12-13H2,1-4H3