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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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