5-(2-bromophenyl)-6-ethylsulfanyl-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 5-(2-bromophenyl)-6-ethylsulfanyl-3H-1,4-benzodiazepin-2-amine Openeye Name: 5-(2-bromophenyl)-6-ethylsulfanyl-3H-1,4-benzodiazepin-2-amine CAS Name: 5-(2-bromophenyl)-6-(ethylthio)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 5-(2-bromophenyl)-6-ethylsulfanyl-3H-1,4-benzodiazepin-2-amine Traditional Name: [5-(2-bromophenyl)-6-(ethylthio)-3H-1,4-benzodiazepin-2-yl]amine Formula: C17H16BrN3S MolecularWeight: 374.29804

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC2=C1C(=NCC(=N2)N)C3=CC=CC=C3Br

Isomeric SMILES

CCSC1=CC=CC2=C1C(=NCC(=N2)N)C3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrN3S/c1-2-22-14-9-5-8-13-16(14)17(20-10-15(19)21-13)11-6-3-4-7-12(11)18/h3-9H,2,10H2,1H3,(H2,19,21)