3-[4-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[(E)-cinnamyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[(E)-cinnamyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC=CC3=CC=CC=C3)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SC/C=C/C3=CC=CC=C3)CCC(=O)N

InChI

InChI=1S/C17H20N4OS/c18-15(22)10-11-16-19-20-17(21(16)14-8-9-14)23-12-4-7-13-5-2-1-3-6-13/h1-7,14H,8-12H2,(H2,18,22)/b7-4+