(3E)-7-bromanyl-5-(2-chlorophenyl)-3-(thiophen-3-ylmethylidene)-4H-1,4-benzodiazepin-1-ium-2-one

Systemtic Name: (3E)-7-bromanyl-5-(2-chlorophenyl)-3-(thiophen-3-ylmethylidene)-4H-1,4-benzodiazepin-1-ium-2-one Openeye Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-(3-thienylmethylene)-4H-1,4-benzodiazepin-1-ium-2-one CAS Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-(3-thiophenylmethylidene)-4H-1,4-benzodiazepin-1-ium-2-one IUPAC Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-(thiophen-3-ylmethylidene)-4H-1,4-benzodiazepin-1-ium-2-one Traditional Name: (3E)-7-bromo-5-(2-chlorophenyl)-3-(3-thenylidene)-4H-1,4-benzodiazepin-1-ium-2-one Formula: C20H13BrClN2OS+ MolecularWeight: 444.75202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C=C(C=CC3=[NH+]C(=O)C(=CC4=CSC=C4)N2)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C=C(C=CC3=[NH+]C(=O)/C(=C\C4=CSC=C4)/N2)Br)Cl

InChI

InChI=1S/C20H12BrClN2OS/c21-13-5-6-17-15(10-13)19(14-3-1-2-4-16(14)22)23-18(20(25)24-17)9-12-7-8-26-11-12/h1-11,23H/p+1/b18-9+