3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-phenyl-1,2,4-triazole CAS Name: 3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-5-phenyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-5-phenyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-5-phenyl-1,2,4-triazole Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-3-12-22-18(15-8-5-4-6-9-15)20-21-19(22)26-14(2)16-10-7-11-17(13-16)23(24)25/h3-11,13-14H,1,12H2,2H3/t14-/m1/s1