3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H16N6O2S3 MolecularWeight: 492.59644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CSC=C4)C#N

InChI

InChI=1S/C22H16N6O2S3/c1-30-13-2-3-16-17(8-13)33-22(26-16)27-18(29)5-7-32-21-15(10-24)19(12-4-6-31-11-12)14(9-23)20(25)28-21/h2-4,6,8,11H,5,7H2,1H3,(H2,25,28)(H,26,27,29)