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

Systemtic Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SC2CCC3=CC=CC=C3NC2=O)C4=CC=NC=C4

InChI

InChI=1S/C20H19N5OS/c1-2-13-25-18(15-9-11-21-12-10-15)23-24-20(25)27-17-8-7-14-5-3-4-6-16(14)22-19(17)26/h2-6,9-12,17H,1,7-8,13H2,(H,22,26)