3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[1-(1-naphthyl)tetrazol-5-yl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-(1-naphthalen-1-yltetrazol-5-yl)sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[1-(1-naphthyl)tetrazol-5-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NC(=O)C1SC3=NN=NN3C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=CC=CC=C2NC(=O)C1SC3=NN=NN3C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C21H17N5OS/c27-20-19(13-12-15-7-2-4-10-17(15)22-20)28-21-23-24-25-26(21)18-11-5-8-14-6-1-3-9-16(14)18/h1-11,19H,12-13H2,(H,22,27)