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

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-[2-(phenylthio)-3-pyridyl]methanone Formula: C31H27N5OS MolecularWeight: 517.64398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)C=C(C=C2)C5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C31H27N5OS/c37-31(28-12-7-15-33-30(28)38-27-10-5-2-6-11-27)36-17-16-35(21-26-19-32-22-34-26)29-14-13-24(18-25(29)20-36)23-8-3-1-4-9-23/h1-15,18-19,22H,16-17,20-21H2,(H,32,34)