6-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole

Systemtic Name: 6-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole Openeye Name: 6-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole CAS Name: 6-methyl-2-[1-(3-nitrophenyl)ethylthio]-1H-benzimidazole IUPAC Name: 6-methyl-2-[1-(3-nitrophenyl)ethylsulfanyl]-1H-benzimidazole Traditional Name: 6-methyl-2-[1-(3-nitrophenyl)ethylthio]-1H-benzimidazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC(C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c1-10-6-7-14-15(8-10)18-16(17-14)22-11(2)12-4-3-5-13(9-12)19(20)21/h3-9,11H,1-2H3,(H,17,18)