6-[2,3-bis(chloranyl)phenyl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-[2,3-bis(chloranyl)phenyl]-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(2,3-dichlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(2,3-dichlorophenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(2,3-dichlorophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(2,3-dichlorophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H14Cl2N4OS MolecularWeight: 417.31166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=CC=C4)Cl)Cl)N=N1

Isomeric SMILES

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=CC=C4)Cl)Cl)N=N1

InChI

InChI=1S/C19H14Cl2N4OS/c1-2-10-27-19-23-18-16(24-25-19)11-6-3-4-9-14(11)22-17(26-18)12-7-5-8-13(20)15(12)21/h2-9,17,22H,1,10H2