N-pyridin-3-yl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbothioamide

Systemtic Name: N-pyridin-3-yl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbothioamide Openeye Name: N-(3-pyridyl)-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbothioamide CAS Name: N-(3-pyridinyl)-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-4-morpholinecarbothioamide IUPAC Name: N-pyridin-3-yl-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbothioamide Traditional Name: N-(3-pyridyl)-2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholine-4-carbothioamide Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1C(=S)NC2=CN=CC=C2)COC3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1COC(CN1C(=S)NC2=CN=CC=C2)COC3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C19H20N6O2S/c28-19(23-15-2-1-7-20-10-15)24-8-9-26-18(11-24)12-27-17-5-3-16(4-6-17)25-14-21-13-22-25/h1-7,10,13-14,18H,8-9,11-12H2,(H,23,28)