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

Systemtic Name: 3-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-chlorophenyl)-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazole CAS Name: 3-(4-chlorophenyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-chlorophenyl)-5-[[(E)-cinnamyl]thio]-1,2,4-triazole Formula: C20H18ClN3S MolecularWeight: 367.89502

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC=CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3S/c1-2-14-24-19(17-10-12-18(21)13-11-17)22-23-20(24)25-15-6-9-16-7-4-3-5-8-16/h2-13H,1,14-15H2/b9-6+