3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chlorophenyl)-5-cinnamylsulfanyl-4-(2-furylmethyl)-1,2,4-triazole CAS Name: 3-(3-chlorophenyl)-4-(2-furanylmethyl)-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(3-chlorophenyl)-4-(furan-2-ylmethyl)-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chlorophenyl)-5-(cinnamylthio)-4-(2-furfuryl)-1,2,4-triazole Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2CC3=CC=CO3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3OS/c23-19-11-4-10-18(15-19)21-24-25-22(26(21)16-20-12-5-13-27-20)28-14-6-9-17-7-2-1-3-8-17/h1-13,15H,14,16H2