ethyl 2-[2-oxidanylidene-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[2-oxo-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[2-oxo-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-2-29-19(27)14-26-17-11-7-6-8-15(17)12-13-18(21(26)28)30-22-23-20(24-25-22)16-9-4-3-5-10-16/h3-11,18H,2,12-14H2,1H3,(H,23,24,25)