2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-cyanophenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-cyanophenyl)ethanamide Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-cyanophenyl)acetamide CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-N-(4-cyanophenyl)acetamide IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-cyanophenyl)acetamide Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-N-(4-cyanophenyl)acetamide Formula: C19H17N7OS MolecularWeight: 391.44958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H17N7OS/c20-10-13-6-8-15(9-7-13)22-17(27)12-28-11-16-24-18(21)26-19(25-16)23-14-4-2-1-3-5-14/h1-9H,11-12H2,(H,22,27)(H3,21,23,24,25,26)