1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5)O

InChI

InChI=1S/C26H30N4O2S/c1-26(2,3)17-8-12-20(13-9-17)32-15-19(31)16-33-25-29-28-24(30(25)18-10-11-18)22-14-27-23-7-5-4-6-21(22)23/h4-9,12-14,18-19,28,31H,10-11,15-16H2,1-3H3/b24-22-