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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]amino]-3-ethyl-1H-1,2,4-triazole-5-thione Formula: C17H19ClN4O2S2 MolecularWeight: 410.94136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

Isomeric SMILES

CCC1=NNC(=S)N1NCC2=CC(=C(C(=C2)Cl)OCC3=CC=CS3)OC

InChI

InChI=1S/C17H19ClN4O2S2/c1-3-15-20-21-17(25)22(15)19-9-11-7-13(18)16(14(8-11)23-2)24-10-12-5-4-6-26-12/h4-8,19H,3,9-10H2,1-2H3,(H,21,25)