3-[(3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile

Systemtic Name: 3-[(3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Openeye Name: 3-[(3-phenyl-2-thioxo-benzimidazol-1-yl)methyl-(3-pyridylmethyl)amino]propanenitrile CAS Name: 3-[(3-phenyl-2-sulfanylidene-1-benzimidazolyl)methyl-(3-pyridinylmethyl)amino]propanenitrile IUPAC Name: 3-[(3-phenyl-2-sulfanylidenebenzimidazol-1-yl)methyl-(pyridin-3-ylmethyl)amino]propanenitrile Traditional Name: 3-[(3-phenyl-2-thioxo-benzimidazol-1-yl)methyl-(3-pyridylmethyl)amino]propionitrile Formula: C23H21N5S MolecularWeight: 399.51134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN(CCC#N)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N(C2=S)CN(CCC#N)CC4=CN=CC=C4

InChI

InChI=1S/C23H21N5S/c24-13-7-15-26(17-19-8-6-14-25-16-19)18-27-21-11-4-5-12-22(21)28(23(27)29)20-9-2-1-3-10-20/h1-6,8-12,14,16H,7,15,17-18H2