1-(2-methyl-4-methylsulfanyl-1H-1,5-benzodiazepin-3-yl)ethanone

Systemtic Name: 1-(2-methyl-4-methylsulfanyl-1H-1,5-benzodiazepin-3-yl)ethanone Openeye Name: 1-(2-methyl-4-methylsulfanyl-1H-1,5-benzodiazepin-3-yl)ethanone CAS Name: 1-[2-methyl-4-(methylthio)-1H-1,5-benzodiazepin-3-yl]ethanone IUPAC Name: 1-(2-methyl-4-methylsulfanyl-1H-1,5-benzodiazepin-3-yl)ethanone Traditional Name: 1-[2-methyl-4-(methylthio)-1H-1,5-benzodiazepin-3-yl]ethanone Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)SC)C(=O)C

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)SC)C(=O)C

InChI

InChI=1S/C13H14N2OS/c1-8-12(9(2)16)13(17-3)15-11-7-5-4-6-10(11)14-8/h4-7,14H,1-3H3