4-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]butanenitrile

Systemtic Name: 4-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]butanenitrile Openeye Name: 4-[3-(4-nitrophenyl)sulfanylbenzothiophen-2-yl]butanenitrile CAS Name: 4-[3-[(4-nitrophenyl)thio]-1-benzothiophen-2-yl]butanenitrile IUPAC Name: 4-[3-(4-nitrophenyl)sulfanyl-1-benzothiophen-2-yl]butanenitrile Traditional Name: 4-[3-[(4-nitrophenyl)thio]benzothiophen-2-yl]butyronitrile Formula: C18H14N2O2S2 MolecularWeight: 354.44596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)CCCC#N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)CCCC#N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O2S2/c19-12-4-3-7-17-18(15-5-1-2-6-16(15)24-17)23-14-10-8-13(9-11-14)20(21)22/h1-2,5-6,8-11H,3-4,7H2