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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-1,2,4-triazine Openeye Name: 5-(1,3-benzodioxol-5-yl)-3-[4-(o-tolylsulfanyl)-1-piperidyl]-1,2,4-triazine CAS Name: 5-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)thio]-1-piperidinyl]-1,2,4-triazine IUPAC Name: 5-(1,3-benzodioxol-5-yl)-3-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-1,2,4-triazine Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-[4-(o-tolylthio)piperidino]-1,2,4-triazine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2CCN(CC2)C3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1SC2CCN(CC2)C3=NC(=CN=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O2S/c1-15-4-2-3-5-21(15)29-17-8-10-26(11-9-17)22-24-18(13-23-25-22)16-6-7-19-20(12-16)28-14-27-19/h2-7,12-13,17H,8-11,14H2,1H3