(Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile

Systemtic Name: (Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile Openeye Name: (Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile CAS Name: (Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-nitro-1H-indol-3-yl)-2-propenenitrile IUPAC Name: (Z)-2-[(4-chlorophenyl)methylsulfonyl]-3-(5-nitro-1H-indol-3-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-chlorobenzyl)sulfonyl-3-(5-nitro-1H-indol-3-yl)acrylonitrile Formula: C18H12ClN3O4S MolecularWeight: 401.82358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CS(=O)(=O)C(=CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1CS(=O)(=O)/C(=C\C2=CNC3=C2C=C(C=C3)[N+](=O)[O-])/C#N)Cl

InChI

InChI=1S/C18H12ClN3O4S/c19-14-3-1-12(2-4-14)11-27(25,26)16(9-20)7-13-10-21-18-6-5-15(22(23)24)8-17(13)18/h1-8,10,21H,11H2/b16-7-