S-(6-nitro-1H-benzimidazol-2-yl) 4-phenylbutanethioate

Systemtic Name: S-(6-nitro-1H-benzimidazol-2-yl) 4-phenylbutanethioate Openeye Name: S-(6-nitro-1H-benzimidazol-2-yl) 4-phenylbutanethioate CAS Name: 4-phenylbutanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester IUPAC Name: S-(6-nitro-1H-benzimidazol-2-yl) 4-phenylbutanethioate Traditional Name: 4-phenylbutanethioic acid S-(6-nitro-1H-benzimidazol-2-yl) ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-16(8-4-7-12-5-2-1-3-6-12)24-17-18-14-10-9-13(20(22)23)11-15(14)19-17/h1-3,5-6,9-11H,4,7-8H2,(H,18,19)