N,N-dicyclohexyl-2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[(1-phenyl-2H-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide CAS Name: N,N-dicyclohexyl-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)sulfanyl]acetamide Traditional Name: N,N-dicyclohexyl-2-[(1-phenyl-2H-tetrazol-1-ium-5-yl)thio]acetamide Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=[N+](NN=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=[N+](NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5OS/c27-20(16-28-21-22-23-24-26(21)19-14-8-3-9-15-19)25(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h3,8-9,14-15,17-18H,1-2,4-7,10-13,16H2/p+1