4-azanyl-3-[3,5-bis(4-pentoxyphenyl)pyrazol-1-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-azanyl-3-[3,5-bis(4-pentoxyphenyl)pyrazol-1-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-amino-3-[3,5-bis(4-pentoxyphenyl)pyrazol-1-yl]-1H-1,2,4-triazole-5-thione CAS Name: 4-amino-3-[3,5-bis(4-pentoxyphenyl)-1-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-amino-3-[3,5-bis(4-pentoxyphenyl)pyrazol-1-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-amino-3-[3,5-bis(4-amoxyphenyl)pyrazol-1-yl]-1H-1,2,4-triazole-5-thione Formula: C27H34N6O2S MolecularWeight: 506.66286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC(=NN2C3=NNC(=S)N3N)C4=CC=C(C=C4)OCCCCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC(=NN2C3=NNC(=S)N3N)C4=CC=C(C=C4)OCCCCC

InChI

InChI=1S/C27H34N6O2S/c1-3-5-7-17-34-22-13-9-20(10-14-22)24-19-25(33(31-24)26-29-30-27(36)32(26)28)21-11-15-23(16-12-21)35-18-8-6-4-2/h9-16,19H,3-8,17-18,28H2,1-2H3,(H,30,36)