N,N-diethyl-2-[(9Z)-9-(phenylmethylidene)thioxanthen-2-yl]oxy-ethanamine hydrochloride

Systemtic Name: N,N-diethyl-2-[(9Z)-9-(phenylmethylidene)thioxanthen-2-yl]oxy-ethanamine hydrochloride Openeye Name: 2-[(9Z)-9-benzylidenethioxanthen-2-yl]oxy-N,N-diethyl-ethanamine hydrochloride CAS Name: N,N-diethyl-2-[[(9Z)-9-(phenylmethylene)-2-thioxanthenyl]oxy]ethanamine hydrochloride IUPAC Name: 2-[(9Z)-9-benzylidenethioxanthen-2-yl]oxy-N,N-diethylethanamine hydrochloride Traditional Name: 2-[(9Z)-9-benzalthioxanthen-2-yl]oxyethyl-diethyl-amine hydrochloride Formula: C26H28ClNOS MolecularWeight: 438.02462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC2=C(C=C1)SC3=CC=CC=C3C2=CC4=CC=CC=C4.Cl

Isomeric SMILES

CCN(CC)CCOC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/C4=CC=CC=C4.Cl

InChI

InChI=1S/C26H27NOS.ClH/c1-3-27(4-2)16-17-28-21-14-15-26-24(19-21)23(18-20-10-6-5-7-11-20)22-12-8-9-13-25(22)29-26;/h5-15,18-19H,3-4,16-17H2,1-2H3;1H/b23-18-;