6-[5-(3-chlorophenyl)furan-2-yl]-3-hexylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-[5-(3-chlorophenyl)furan-2-yl]-3-hexylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-[5-(3-chlorophenyl)-2-furyl]-3-hexylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-[5-(3-chlorophenyl)-2-furanyl]-3-(hexylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-[5-(3-chlorophenyl)furan-2-yl]-3-hexylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-[5-(3-chlorophenyl)-2-furyl]-3-(hexylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)N=N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)N=N1

InChI

InChI=1S/C26H25ClN4O2S/c1-2-3-4-7-15-34-26-29-25-23(30-31-26)19-11-5-6-12-20(19)28-24(33-25)22-14-13-21(32-22)17-9-8-10-18(27)16-17/h5-6,8-14,16,24,28H,2-4,7,15H2,1H3