3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN4OS/c1-2-8-19-13(10-3-5-11(15)6-4-10)17-18-14(19)21-9-7-12(16)20/h2-6H,1,7-9H2,(H2,16,20)