1-[6-(3-chloranyl-4-methoxy-phenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[6-(3-chloranyl-4-methoxy-phenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[3-allylsulfanyl-6-(3-chloro-4-methoxy-phenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[6-(3-chloro-4-methoxyphenyl)-3-(prop-2-enylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[6-(3-chloro-4-methoxyphenyl)-3-prop-2-enylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[3-(allylthio)-6-(3-chloro-4-methoxy-phenyl)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C23H21ClN4O3S MolecularWeight: 468.95584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C23H21ClN4O3S/c1-4-12-32-23-25-21-20(26-27-23)15-8-6-7-9-17(15)28(19(29)5-2)22(31-21)14-10-11-18(30-3)16(24)13-14/h4,6-11,13,22H,1,5,12H2,2-3H3