2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetonitrile IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetonitrile Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#N

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC#N

InChI

InChI=1S/C16H12N4O3S/c1-23-15-5-3-2-4-14(15)19-13-7-6-11(20(21)22)10-12(13)18-16(19)24-9-8-17/h2-7,10H,9H2,1H3