4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-ethoxy-4-(2-thenyloxy)benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CS4

InChI

InChI=1S/C21H21N5O2S2/c1-2-27-19-12-15(5-6-18(19)28-14-17-4-3-11-30-17)13-23-26-20(24-25-21(26)29)16-7-9-22-10-8-16/h3-12,23H,2,13-14H2,1H3,(H,25,29)