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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C20H18ClN5O2S2 MolecularWeight: 459.97222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN5O2S2/c1-27-17-10-13(9-16(21)18(17)28-12-15-3-2-8-30-15)11-23-26-19(24-25-20(26)29)14-4-6-22-7-5-14/h2-10,23H,11-12H2,1H3,(H,25,29)