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

Systemtic Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-propyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-methoxy-4-(2-thenyloxy)benzyl]amino]-3-propyl-1H-1,2,4-triazole-5-thione Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CC=CS3)OC

Isomeric SMILES

CCCC1=NNC(=S)N1NCC2=CC(=C(C=C2)OCC3=CC=CS3)OC

InChI

InChI=1S/C18H22N4O2S2/c1-3-5-17-20-21-18(25)22(17)19-11-13-7-8-15(16(10-13)23-2)24-12-14-6-4-9-26-14/h4,6-10,19H,3,5,11-12H2,1-2H3,(H,21,25)