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

Systemtic Name: 4-methyl-3-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-5-(phenylmethyl)-1,2,4-triazole Openeye Name: 3-benzyl-4-methyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole CAS Name: 4-methyl-3-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-5-(phenylmethyl)-1,2,4-triazole IUPAC Name: 3-benzyl-4-methyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole Traditional Name: 3-benzyl-4-methyl-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazole Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13(15-9-6-10-16(12-15)22(23)24)25-18-20-19-17(21(18)2)11-14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1