(E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enenitrile

Systemtic Name: (E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enenitrile Openeye Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enenitrile CAS Name: (E)-3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-phenyl-2-propenenitrile IUPAC Name: (E)-3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enenitrile Traditional Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-acrylonitrile Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=CC#N)C3=CC=CC=C3)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=C/C#N)/C3=CC=CC=C3)N=C1N

InChI

InChI=1S/C19H18N4O2S/c1-13(2)26(24,25)23-18-12-15(8-9-17(18)22-19(23)21)16(10-11-20)14-6-4-3-5-7-14/h3-10,12-13H,1-2H3,(H2,21,22)/b16-10+