3-[(4-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-nitrophenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-nitrophenyl)methylsulfonyl]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-nitrophenyl)methylsulfonyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-(4-nitrobenzyl)sulfonyl-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c26-25(27)17-10-8-16(9-11-17)14-30(28,29)20-23-22-19(18-7-4-12-21-18)24(20)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18,21H,4,7,12-14H2