8-ethylsulfanyl-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-amine

Systemtic Name: 8-ethylsulfanyl-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-amine Openeye Name: 8-ethylsulfanyl-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-amine CAS Name: 8-(ethylthio)-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-amine IUPAC Name: 8-ethylsulfanyl-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-amine Traditional Name: [8-(ethylthio)-5-(3-fluorophenyl)-3H-1,4-benzodiazepin-2-yl]amine Formula: C17H16FN3S MolecularWeight: 313.392443

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C=C1)C(=NCC(=N2)N)C3=CC(=CC=C3)F

Isomeric SMILES

CCSC1=CC2=C(C=C1)C(=NCC(=N2)N)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN3S/c1-2-22-13-6-7-14-15(9-13)21-16(19)10-20-17(14)11-4-3-5-12(18)8-11/h3-9H,2,10H2,1H3,(H2,19,21)