4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-benzylidene]amino]-1H-1,2,4-triazole-5-thione Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2C=NNC2=S)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O2S/c1-2-27-20-8-15(12-24-26-14-23-25-21(26)29)3-4-19(20)28-13-22-9-16-5-17(10-22)7-18(6-16)11-22/h3-4,8,12,14,16-18H,2,5-7,9-11,13H2,1H3,(H,25,29)/b24-12-