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

Systemtic Name: 3-azido-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-azido-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-azido-5-(ethylthio)-1-methyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-azido-5-ethylsulfanyl-1-methyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-azido-5-(ethylthio)-1-methyl-3H-1,4-benzodiazepin-2-one Formula: C12H13N5OS MolecularWeight: 275.32952

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)N=[N+]=[N-]

Isomeric SMILES

CCSC1=NC(C(=O)N(C2=CC=CC=C21)C)N=[N+]=[N-]

InChI

InChI=1S/C12H13N5OS/c1-3-19-11-8-6-4-5-7-9(8)17(2)12(18)10(14-11)15-16-13/h4-7,10H,3H2,1-2H3