2-[(4-nitrophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[(4-nitrophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(4-nitrophenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(4-nitrophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(4-nitrophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(4-nitrobenzyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NCC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NCC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2S/c17-9-14-13-3-1-2-4-15(13)22-16(14)18-10-11-5-7-12(8-6-11)19(20)21/h5-8,18H,1-4,10H2