3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)C4=CC=NC=C4

InChI

InChI=1S/C18H17N5OS/c1-23-16(13-8-10-19-11-9-13)21-22-18(23)25-15-7-6-12-4-2-3-5-14(12)20-17(15)24/h2-5,8-11,15H,6-7H2,1H3,(H,20,24)