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

Systemtic Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C19H18N4OS MolecularWeight: 350.43742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SC3CCC4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SC3CCC4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H18N4OS/c1-13-21-22-19(23(13)15-8-3-2-4-9-15)25-17-12-11-14-7-5-6-10-16(14)20-18(17)24/h2-10,17H,11-12H2,1H3,(H,20,24)