1-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,3,4-tetrazole

Systemtic Name: 1-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,3,4-tetrazole Openeye Name: 1-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyl-tetrazole CAS Name: 1-cyclopropyl-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]tetrazole IUPAC Name: 1-cyclopropyl-5-[(1S)-1-(3-nitrophenyl)ethyl]sulfanyltetrazole Traditional Name: 1-cyclopropyl-5-[[(1S)-1-(3-nitrophenyl)ethyl]thio]tetrazole Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C3CC3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])SC2=NN=NN2C3CC3

InChI

InChI=1S/C12H13N5O2S/c1-8(9-3-2-4-11(7-9)17(18)19)20-12-13-14-15-16(12)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3/t8-/m0/s1