3-azanyl-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 3-azanyl-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-amino-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-amino-5-(ethylthio)-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-amino-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-amino-5-(ethylthio)-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C12H15N3OS MolecularWeight: 249.332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)N

Isomeric SMILES

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)N

InChI

InChI=1S/C12H15N3OS/c1-3-17-11-8-6-4-5-7-9(8)15(2)12(16)10(13)14-11/h4-7,10H,3,13H2,1-2H3