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

Systemtic Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-(2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-[(2-chlorophenyl)methylthio]-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-[(2-chlorophenyl)methylsulfanyl]-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-[(2-chlorobenzyl)thio]-6-(2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C21H15ClN4OS2 MolecularWeight: 438.953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=CS5)N=N2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=CS5)N=N2)Cl

InChI

InChI=1S/C21H15ClN4OS2/c22-15-8-3-1-6-13(15)12-29-21-24-20-18(25-26-21)14-7-2-4-9-16(14)23-19(27-20)17-10-5-11-28-17/h1-11,19,23H,12H2