[3-(2-hydroxyethylsulfanyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenyl-methanone

Systemtic Name: [3-(2-hydroxyethylsulfanyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenyl-methanone Openeye Name: [3-(2-hydroxyethylsulfanyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenyl-methanone CAS Name: [3-(2-hydroxyethylthio)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenylmethanone IUPAC Name: [3-(2-hydroxyethylsulfanyl)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenylmethanone Traditional Name: [3-(2-hydroxyethylthio)-1-(1H-imidazol-5-ylmethyl)-7-phenyl-1,4-benzodiazepin-2-yl]-phenyl-methanone Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C(N=C3)SCCO)C(=O)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C(=C(N=C3)SCCO)C(=O)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H24N4O2S/c33-13-14-35-28-26(27(34)21-9-5-2-6-10-21)32(18-24-17-29-19-31-24)25-12-11-22(15-23(25)16-30-28)20-7-3-1-4-8-20/h1-12,15-17,19,33H,13-14,18H2,(H,29,31)