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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H24ClN5O2S MolecularWeight: 409.93346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SC(C)C(=O)NC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H24ClN5O2S/c1-3-4-5-6-11-24-15(13-7-9-14(19)10-8-13)22-23-18(24)27-12(2)16(25)21-17(20)26/h7-10,12H,3-6,11H2,1-2H3,(H3,20,21,25,26)