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

Systemtic Name: N,N-dicyclohexyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C21H29N5OS MolecularWeight: 399.55286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=NN3C4=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