N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[(1-phenyl-5-tetrazolyl)methylthio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[(1-phenyltetrazol-5-yl)methylsulfanyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[(1-phenyltetrazol-5-yl)methylthio]phenyl]cyclohexanecarboxamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H23N5OS/c27-21(16-7-3-1-4-8-16)22-17-11-13-19(14-12-17)28-15-20-23-24-25-26(20)18-9-5-2-6-10-18/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,22,27)