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

Systemtic Name: 4-(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(3-nitrophenyl)methylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[(3-nitrophenyl)methylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(3-nitrophenyl)methylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[(3-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(=CC=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

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

InChI

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