5-(2,5-dimethylfuran-3-yl)-3-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-1,2,4-triazine

Systemtic Name: 5-(2,5-dimethylfuran-3-yl)-3-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-1,2,4-triazine Openeye Name: 5-(2,5-dimethyl-3-furyl)-3-[4-(o-tolylsulfanyl)-1-piperidyl]-1,2,4-triazine CAS Name: 5-(2,5-dimethyl-3-furanyl)-3-[4-[(2-methylphenyl)thio]-1-piperidinyl]-1,2,4-triazine IUPAC Name: 5-(2,5-dimethylfuran-3-yl)-3-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-1,2,4-triazine Traditional Name: 5-(2,5-dimethyl-3-furyl)-3-[4-(o-tolylthio)piperidino]-1,2,4-triazine Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2CCN(CC2)C3=NC(=CN=N3)C4=C(OC(=C4)C)C

Isomeric SMILES

CC1=CC=CC=C1SC2CCN(CC2)C3=NC(=CN=N3)C4=C(OC(=C4)C)C

InChI

InChI=1S/C21H24N4OS/c1-14-6-4-5-7-20(14)27-17-8-10-25(11-9-17)21-23-19(13-22-24-21)18-12-15(2)26-16(18)3/h4-7,12-13,17H,8-11H2,1-3H3