1-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole

Systemtic Name: 1-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole Openeye Name: 1-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole CAS Name: 1-methyl-2-[1-(3-nitrophenyl)ethylthio]imidazole IUPAC Name: 1-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]imidazole Traditional Name: 1-methyl-2-[1-(3-nitrophenyl)ethylthio]imidazole Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=CN2C

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])SC2=NC=CN2C

InChI

InChI=1S/C12H13N3O2S/c1-9(18-12-13-6-7-14(12)2)10-4-3-5-11(8-10)15(16)17/h3-9H,1-2H3