(2-methoxynaphthalen-1-yl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol

Systemtic Name: (2-methoxynaphthalen-1-yl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol Openeye Name: (2-methoxy-1-naphthyl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol CAS Name: (2-methoxy-1-naphthalenyl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol IUPAC Name: (2-methoxynaphthalen-1-yl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol Traditional Name: (2-methoxy-1-naphthyl)-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methanethiol Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC=CC=C3C4=NCCCN4)S

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C(C3=CC=CC=C3C4=NCCCN4)S

InChI

InChI=1S/C22H22N2OS/c1-25-19-12-11-15-7-2-3-8-16(15)20(19)21(26)17-9-4-5-10-18(17)22-23-13-6-14-24-22/h2-5,7-12,21,26H,6,13-14H2,1H3,(H,23,24)