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

Systemtic Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-ethoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-ethoxy-4-(2-thenyloxy)benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CC=CS4

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNN2C(=NNC2=S)C3=CC=CC=C3)OCC4=CC=CS4

InChI

InChI=1S/C22H22N4O2S2/c1-2-27-20-13-16(10-11-19(20)28-15-18-9-6-12-30-18)14-23-26-21(24-25-22(26)29)17-7-4-3-5-8-17/h3-13,23H,2,14-15H2,1H3,(H,25,29)