N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2-methyl-3-phenyl-1H-1,5-benzodiazepin-4-yl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C25H21N7OS MolecularWeight: 467.54554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CSC3=NN=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N7OS/c1-17-23(18-10-4-2-5-11-18)24(27-21-15-9-8-14-20(21)26-17)28-22(33)16-34-25-29-30-31-32(25)19-12-6-3-7-13-19/h2-15,26H,16H2,1H3,(H,27,28,33)