4-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[[4-[(6-chloranylpyridin-3-yl)methoxy]-3-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[4-[(6-chloropyridin-3-yl)methoxy]-3-methoxyphenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[4-[(6-chloro-3-pyridyl)methoxy]-3-methoxy-benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CN=C(C=C3)Cl)OC

InChI

InChI=1S/C18H20ClN5O2S/c1-3-17-22-23-18(27)24(17)21-10-12-4-6-14(15(8-12)25-2)26-11-13-5-7-16(19)20-9-13/h4-9,21H,3,10-11H2,1-2H3,(H,23,27)