3-hexylsulfanyl-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-hexylsulfanyl-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-hexylsulfanyl-6-(3-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(hexylthio)-6-(3-thiophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-hexylsulfanyl-6-thiophen-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(hexylthio)-6-(3-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CSC=C4)N=N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CSC=C4)N=N1

InChI

InChI=1S/C20H22N4OS2/c1-2-3-4-7-11-27-20-22-19-17(23-24-20)15-8-5-6-9-16(15)21-18(25-19)14-10-12-26-13-14/h5-6,8-10,12-13,18,21H,2-4,7,11H2,1H3