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

Systemtic Name: 4-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[1-(3-nitrophenyl)ethylsulfanyl]-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylthio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[1-(3-nitrophenyl)ethylsulfanyl]-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[1-(3-nitrophenyl)ethylthio]-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SC(C)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H23N5O2S/c1-15-8-10-18(11-9-15)25-20(24-12-3-4-13-24)22-23-21(25)29-16(2)17-6-5-7-19(14-17)26(27)28/h5-11,14,16H,3-4,12-13H2,1-2H3