(Z)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-(3-fluorophenyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-(3-fluorophenyl)prop-2-enenitrile Openeye Name: (Z)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-(3-fluorophenyl)prop-2-enenitrile CAS Name: (Z)-3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-(3-fluorophenyl)-2-propenenitrile IUPAC Name: (Z)-3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-(3-fluorophenyl)prop-2-enenitrile Traditional Name: (Z)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-(3-fluorophenyl)acrylonitrile Formula: C19H17FN4O2S MolecularWeight: 384.427283

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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)F)N=C1N

Isomeric SMILES

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

InChI

InChI=1S/C19H17FN4O2S/c1-12(2)27(25,26)24-18-11-14(6-7-17(18)23-19(24)22)16(8-9-21)13-4-3-5-15(20)10-13/h3-8,10-12H,1-2H3,(H2,22,23)/b16-8+