1-(4-ethylphenyl)sulfanyl-2-methyl-5-nitro-benzimidazole

Systemtic Name: 1-(4-ethylphenyl)sulfanyl-2-methyl-5-nitro-benzimidazole Openeye Name: 1-(4-ethylphenyl)sulfanyl-2-methyl-5-nitro-benzimidazole CAS Name: 1-[(4-ethylphenyl)thio]-2-methyl-5-nitrobenzimidazole IUPAC Name: 1-(4-ethylphenyl)sulfanyl-2-methyl-5-nitrobenzimidazole Traditional Name: 1-[(4-ethylphenyl)thio]-2-methyl-5-nitro-benzimidazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)SN2C(=NC3=C2C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H15N3O2S/c1-3-12-4-7-14(8-5-12)22-18-11(2)17-15-10-13(19(20)21)6-9-16(15)18/h4-10H,3H2,1-2H3