4-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]benzenecarbonitrile

Systemtic Name: 4-[(2-azanyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]benzenecarbonitrile Openeye Name: 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzonitrile CAS Name: 4-[(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)benzonitrile Traditional Name: 4-(2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)benzonitrile Formula: C16H14N2OS MolecularWeight: 282.36016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H14N2OS/c17-9-10-5-7-11(8-6-10)15(19)14-12-3-1-2-4-13(12)20-16(14)18/h5-8H,1-4,18H2