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

Systemtic Name: 4-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-3-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[[3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]amino]-3-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H19ClN4O2S2 MolecularWeight: 458.98416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S2/c1-27-18-11-14(10-17(22)19(18)28-13-16-8-5-9-30-16)12-23-26-20(24-25-21(26)29)15-6-3-2-4-7-15/h2-11,23H,12-13H2,1H3,(H,25,29)