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

Systemtic Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-methoxy-4-(2-thenyloxy)benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S2/c1-26-19-12-15(9-10-18(19)27-14-17-8-5-11-29-17)13-22-25-20(23-24-21(25)28)16-6-3-2-4-7-16/h2-12,22H,13-14H2,1H3,(H,24,28)