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

Systemtic Name: 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-2-14-25-19(16-9-4-3-5-10-16)23-24-21(25)27-18-13-12-15-8-6-7-11-17(15)22-20(18)26/h2-11,18H,1,12-14H2,(H,22,26)