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

Systemtic Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-phenyl]methyleneamino]-3-methyl-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxyphenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(1-adamantylmethoxy)-3-ethoxy-benzylidene]amino]-3-methyl-1H-1,2,4-triazole-5-thione Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-3-28-21-9-16(13-24-27-15(2)25-26-22(27)30)4-5-20(21)29-14-23-10-17-6-18(11-23)8-19(7-17)12-23/h4-5,9,13,17-19H,3,6-8,10-12,14H2,1-2H3,(H,26,30)/b24-13-