2-[3-chloranyl-2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[3-chloranyl-2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[3-chloro-2-[(2-methoxy-1-naphthyl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[3-chloro-2-[[(2-methoxy-1-naphthalenyl)thio]methyl]phenyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[3-chloro-2-[(2-methoxynaphthalen-1-yl)sulfanylmethyl]phenyl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[3-chloro-2-[[(2-methoxy-1-naphthyl)thio]methyl]phenyl]-1,4,5,6-tetrahydropyrimidine Formula: C22H21ClN2OS MolecularWeight: 396.93294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)SCC3=C(C=CC=C3Cl)C4=NCCCN4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)SCC3=C(C=CC=C3Cl)C4=NCCCN4

InChI

InChI=1S/C22H21ClN2OS/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/h2-4,6-11H,5,12-14H2,1H3,(H,24,25)