3-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(3-chlorobenzothiophen-2-yl)-5-cinnamylsulfanyl-4-phenyl-1,2,4-triazole CAS Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-(3-phenylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-(3-phenylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(3-chlorobenzothiophen-2-yl)-5-(cinnamylthio)-4-phenyl-1,2,4-triazole Formula: C25H18ClN3S2 MolecularWeight: 460.01352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H18ClN3S2/c26-22-20-15-7-8-16-21(20)31-23(22)24-27-28-25(29(24)19-13-5-2-6-14-19)30-17-9-12-18-10-3-1-4-11-18/h1-16H,17H2