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

Systemtic Name: N,N-dicyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-dicyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N,N-dicyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-dicyclohexyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N4OS/c27-20(16-28-22-23-21(24-25-22)17-10-4-1-5-11-17)26(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,23,24,25)