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

Systemtic Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-methoxy-4-(2-thenyloxy)benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=NC=C3)OCC4=CC=CS4

InChI

InChI=1S/C20H19N5O2S2/c1-26-18-11-14(4-5-17(18)27-13-16-3-2-10-29-16)12-22-25-19(23-24-20(25)28)15-6-8-21-9-7-15/h2-11,22H,12-13H2,1H3,(H,24,28)