N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H28ClN5O2S MolecularWeight: 437.98662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H28ClN5O2S/c1-3-4-5-6-7-8-13-26-17(15-9-11-16(21)12-10-15)24-25-20(26)29-14(2)18(27)23-19(22)28/h9-12,14H,3-8,13H2,1-2H3,(H3,22,23,27,28)