6-[[1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione

Systemtic Name: 6-[[1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione Openeye Name: 6-[[1-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione CAS Name: 6-[[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione IUPAC Name: 6-[[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione Traditional Name: 6-[[1-[(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl]amino]-9-phenyl-7,9-diazaspiro[4.4]non-6-ene-8-thione Formula: C27H31ClN6OS MolecularWeight: 523.09264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)NC3=NC(=S)N(C34CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)NC3=NC(=S)N(C34CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H31ClN6OS/c1-26(2,3)22(23(33-18-29-17-30-33)35-21-13-11-19(28)12-14-21)31-24-27(15-7-8-16-27)34(25(36)32-24)20-9-5-4-6-10-20/h4-6,9-14,17-18,22-23H,7-8,15-16H2,1-3H3,(H,31,32,36)