(E)-2-[(3-chlorophenyl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile

Systemtic Name: (E)-2-[(3-chlorophenyl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile Openeye Name: (E)-2-[(3-chlorophenyl)methylamino]-3-(2-thienylmethyleneamino)but-2-enedinitrile CAS Name: (E)-2-[(3-chlorophenyl)methylamino]-3-(thiophen-2-ylmethylideneamino)-2-butenedinitrile IUPAC Name: (E)-2-[(3-chlorophenyl)methylamino]-3-(thiophen-2-ylmethylideneamino)but-2-enedinitrile Traditional Name: (E)-2-[(3-chlorobenzyl)amino]-3-(2-thenylideneamino)but-2-enedinitrile Formula: C16H11ClN4S MolecularWeight: 326.80334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC(=C(C#N)N=CC2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CN/C(=C(\C#N)/N=CC2=CC=CS2)/C#N

InChI

InChI=1S/C16H11ClN4S/c17-13-4-1-3-12(7-13)10-20-15(8-18)16(9-19)21-11-14-5-2-6-22-14/h1-7,11,20H,10H2/b16-15+,21-11?