4-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanenitrile

Systemtic Name: 4-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylbutanenitrile Openeye Name: 4-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylbutanenitrile CAS Name: 4-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]butanenitrile IUPAC Name: 4-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]butyronitrile Formula: C18H16ClN3S MolecularWeight: 341.85774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)N=C2SCCCC#N

InChI

InChI=1S/C18H16ClN3S/c19-15-8-9-17-16(12-15)21-18(23-11-5-4-10-20)22(17)13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,11,13H2