2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]tetralin-1-one CAS Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 2-[[4-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]tetralin-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SC3CCC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NN=C(N2C)SC3CCC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H21N3O2S/c1-14-7-10-16(11-8-14)26-13-19-22-23-21(24(19)2)27-18-12-9-15-5-3-4-6-17(15)20(18)25/h3-8,10-11,18H,9,12-13H2,1-2H3