2-[5-chloranyl-6-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane

Systemtic Name: 2-[5-chloranyl-6-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane Openeye Name: 2-[5-chloro-6-[(2-methoxy-1-naphthyl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]hexahydropyrimidine CAS Name: 2-[5-chloro-6-[[(2-methoxy-1-naphthalenyl)thio]methyl]-1-cyclohexa-1,5-dienyl]-1,3-diazinane IUPAC Name: 2-[5-chloro-6-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane Traditional Name: 2-[5-chloro-6-[[(2-methoxy-1-naphthyl)thio]methyl]cyclohexa-1,5-dien-1-yl]hexahydropyrimidine Formula: C22H25ClN2OS MolecularWeight: 400.9647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)SCC3=C(CCC=C3C4NCCCN4)Cl

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)SCC3=C(CCC=C3C4NCCCN4)Cl

InChI

InChI=1S/C22H25ClN2OS/c1-26-20-11-10-15-6-2-3-7-16(15)21(20)27-14-18-17(8-4-9-19(18)23)22-24-12-5-13-25-22/h2-3,6-8,10-11,22,24-25H,4-5,9,12-14H2,1H3