5-(4-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole

Systemtic Name: 5-(4-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Openeye Name: 5-(4-chlorophenyl)-3-[(E)-cinnamyl]sulfanyl-1H-1,2,4-triazole CAS Name: 5-(4-chlorophenyl)-3-[[(E)-3-phenylprop-2-enyl]thio]-1H-1,2,4-triazole IUPAC Name: 5-(4-chlorophenyl)-3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole Traditional Name: 5-(4-chlorophenyl)-3-[[(E)-cinnamyl]thio]-1H-1,2,4-triazole Formula: C17H14ClN3S MolecularWeight: 327.83116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3S/c18-15-10-8-14(9-11-15)16-19-17(21-20-16)22-12-4-7-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,21)/b7-4+