3-chloranyl-N-[(4-methylsulfanyl-1,3,5-triazin-2-yl)methyl]aniline; thiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(4-methylsulfanyl-1,3,5-triazin-2-yl)methyl]aniline; thiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-methylsulfanyl-1,3,5-triazin-2-yl)methyl]aniline; thiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(methylthio)-1,3,5-triazin-2-yl]methyl]aniline; 2-thiophenecarboxamide IUPAC Name: 3-chloro-N-[(4-methylsulfanyl-1,3,5-triazin-2-yl)methyl]aniline; thiophene-2-carboxamide Traditional Name: (3-chlorophenyl)-[[4-(methylthio)-s-triazin-2-yl]methyl]amine; thiophene-2-carboxamide Formula: C16H16ClN5OS2 MolecularWeight: 393.91414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC(=N1)CNC2=CC(=CC=C2)Cl.C1=CSC(=C1)C(=O)N

Isomeric SMILES

CSC1=NC=NC(=N1)CNC2=CC(=CC=C2)Cl.C1=CSC(=C1)C(=O)N

InChI

InChI=1S/C11H11ClN4S.C5H5NOS/c1-17-11-15-7-14-10(16-11)6-13-9-4-2-3-8(12)5-9;6-5(7)4-2-1-3-8-4/h2-5,7,13H,6H2,1H3;1-3H,(H2,6,7)