2-chloranyl-6-methoxy-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol

Systemtic Name: 2-chloranyl-6-methoxy-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Openeye Name: 4-(3-allylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-chloro-6-methoxy-phenol CAS Name: 2-chloro-6-methoxy-4-[3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol IUPAC Name: 2-chloro-6-methoxy-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Traditional Name: 4-[3-(allylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxy-phenol Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)Cl)O

InChI

InChI=1S/C20H17ClN4O3S/c1-3-8-29-20-23-19-16(24-25-20)12-6-4-5-7-14(12)22-18(28-19)11-9-13(21)17(26)15(10-11)27-2/h3-7,9-10,18,22,26H,1,8H2,2H3