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

Systemtic Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-propylsulfanylpyridin-3-yl)methanone Openeye Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-propylsulfanyl-3-pyridyl)methanone CAS Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-[2-(propylthio)-3-pyridinyl]methanone IUPAC Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-(2-propylsulfanylpyridin-3-yl)methanone Traditional Name: [1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-[2-(propylthio)-3-pyridyl]methanone Formula: C28H29N5OS MolecularWeight: 483.62776

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCN(C3=C(C2)C=C(C=C3)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C28H29N5OS/c1-2-15-35-27-25(9-6-12-30-27)28(34)33-14-13-32(19-24-17-29-20-31-24)26-11-10-22(16-23(26)18-33)21-7-4-3-5-8-21/h3-12,16-17,20H,2,13-15,18-19H2,1H3,(H,29,31)