N-(2-chloranyl-4-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-2-9-22-16-6-4-3-5-15(16)21-18(22)27-11-17(24)20-14-8-7-12(23(25)26)10-13(14)19/h2-8,10H,1,9,11H2,(H,20,24)