N-(4-chloranyl-2-nitro-phenyl)-3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-3-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanyl-propanamide CAS Name: N-(4-chloro-2-nitrophenyl)-3-[(1-cyclopentyl-5-tetrazolyl)thio]propanamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-3-[(1-cyclopentyltetrazol-5-yl)thio]propionamide Formula: C15H17ClN6O3S MolecularWeight: 396.85188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H17ClN6O3S/c16-10-5-6-12(13(9-10)22(24)25)17-14(23)7-8-26-15-18-19-20-21(15)11-3-1-2-4-11/h5-6,9,11H,1-4,7-8H2,(H,17,23)