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

Systemtic Name: 3-(2-methoxyphenyl)-4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-methoxyphenyl)-4-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-methoxyphenyl)-4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-methoxyphenyl)-4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-methoxyphenyl)-4-[[3-methoxy-4-(2-thenyloxy)benzyl]amino]-1H-1,2,4-triazole-5-thione Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C=C3)OCC4=CC=CS4)OC

Isomeric SMILES

COC1=CC=CC=C1C2=NNC(=S)N2NCC3=CC(=C(C=C3)OCC4=CC=CS4)OC

InChI

InChI=1S/C22H22N4O3S2/c1-27-18-8-4-3-7-17(18)21-24-25-22(30)26(21)23-13-15-9-10-19(20(12-15)28-2)29-14-16-6-5-11-31-16/h3-12,23H,13-14H2,1-2H3,(H,25,30)