3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[4-[(4-chlorophenyl)thio]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[4-(4-chlorophenyl)sulfanylphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[4-[(4-chlorophenyl)thio]phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C23H16ClN3S MolecularWeight: 401.91124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)SC4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(C=C3)SC4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C23H16ClN3S/c1-15-2-11-21-22(12-15)27-23(26-21)17(14-25)13-16-3-7-19(8-4-16)28-20-9-5-18(24)6-10-20/h2-13H,1H3,(H,26,27)