3-chloranyl-N-[4-(cyanomethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(cyanomethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(cyanomethyl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(cyanomethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(cyanomethyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(cyanomethyl)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C17H10ClN3O3S MolecularWeight: 371.7976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C17H10ClN3O3S/c18-14-12-2-1-3-13(21(23)24)15(12)25-16(14)17(22)20-11-6-4-10(5-7-11)8-9-19/h1-7H,8H2,(H,20,22)