S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate

Systemtic Name: S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate Openeye Name: S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate CAS Name: ethanethioic acid S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ester IUPAC Name: S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ethanethioate Traditional Name: ethanethioic acid S-(1-methyl-2-phenyl-1,5-benzodiazepin-4-yl) ester Formula: C18H16N2OS MolecularWeight: 308.39744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)C

Isomeric SMILES

CC(=O)SC1=NC2=CC=CC=C2N(C(=C1)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16N2OS/c1-13(21)22-18-12-17(14-8-4-3-5-9-14)20(2)16-11-7-6-10-15(16)19-18/h3-12H,1-2H3