4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazole CAS Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylthio)-1,2,4-triazole IUPAC Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-5-(cyclopropylmethylthio)-1,2,4-triazole Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SCC5CC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC4=C(C=C3)OCO4)SCC5CC5

InChI

InChI=1S/C23H25N3O2S/c1-23(2,3)17-8-6-16(7-9-17)21-24-25-22(29-13-15-4-5-15)26(21)18-10-11-19-20(12-18)28-14-27-19/h6-12,15H,4-5,13-14H2,1-3H3