1-(3-methylsulfanyl-6-thiophen-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1-one

Systemtic Name: 1-(3-methylsulfanyl-6-thiophen-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1-one Openeye Name: 1-[3-methylsulfanyl-6-(2-thienyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one CAS Name: 1-[3-(methylthio)-6-thiophen-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-butanone IUPAC Name: 1-(3-methylsulfanyl-6-thiophen-2-yl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl)butan-1-one Traditional Name: 1-[3-(methylthio)-6-(2-thienyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]butan-1-one Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CS4

Isomeric SMILES

CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CS4

InChI

InChI=1S/C19H18N4O2S2/c1-3-7-15(24)23-13-9-5-4-8-12(13)16-17(20-19(26-2)22-21-16)25-18(23)14-10-6-11-27-14/h4-6,8-11,18H,3,7H2,1-2H3