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

Systemtic Name: 3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[4-methyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C17H16N6OS MolecularWeight: 352.41354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6OS/c1-23-15(13-10-18-8-9-19-13)21-22-17(23)25-14-7-6-11-4-2-3-5-12(11)20-16(14)24/h2-5,8-10,14H,6-7H2,1H3,(H,20,24)