3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanenitrile

Systemtic Name: 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-oxidanyl-3-phenyl-propanenitrile Openeye Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-3-phenyl-propanenitrile CAS Name: 3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-hydroxy-3-phenylpropanenitrile IUPAC Name: 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-hydroxy-3-phenylpropanenitrile Traditional Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-hydroxy-3-phenyl-propionitrile Formula: C19H20N4O3S MolecularWeight: 384.4521

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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)O)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-13(2)27(25,26)23-17-12-15(8-9-16(17)22-18(23)21)19(24,10-11-20)14-6-4-3-5-7-14/h3-9,12-13,24H,10H2,1-2H3,(H2,21,22)