4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(4-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(4-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(4-nitrobenzyl)thio]-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H21N5O2S/c1-15-4-8-17(9-5-15)24-19(23-12-2-3-13-23)21-22-20(24)28-14-16-6-10-18(11-7-16)25(26)27/h4-11H,2-3,12-14H2,1H3