2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine

Systemtic Name: 2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine Openeye Name: 2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-4,5-diphenyl-pyrimidine CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4,5-diphenylpyrimidine IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-4,5-diphenylpyrimidine Traditional Name: 2-[(5-chlorobenzothiophen-3-yl)methylthio]-4,5-diphenyl-pyrimidine Formula: C25H17ClN2S2 MolecularWeight: 444.99888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CSC5=C4C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=CC=C3)SCC4=CSC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C25H17ClN2S2/c26-20-11-12-23-21(13-20)19(15-29-23)16-30-25-27-14-22(17-7-3-1-4-8-17)24(28-25)18-9-5-2-6-10-18/h1-15H,16H2