3-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazole Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C20H20N4O2S/c1-14(17-8-5-9-18(12-17)24(25)26)27-20-22-21-19(16-10-11-16)23(20)13-15-6-3-2-4-7-15/h2-9,12,14,16H,10-11,13H2,1H3/t14-/m1/s1