2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)phenyl]benzamide Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C4=NN=C5N4CCCCC5)C

InChI

InChI=1S/C27H28N6OS/c1-18-16-19(2)29-27(28-18)35-17-21-8-5-6-9-23(21)26(34)30-22-13-11-20(12-14-22)25-32-31-24-10-4-3-7-15-33(24)25/h5-6,8-9,11-14,16H,3-4,7,10,15,17H2,1-2H3,(H,30,34)