1-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol

Systemtic Name: 1-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methoxy-4-prop-2-enyl-phenoxy)propan-2-ol Openeye Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: 1-[[(5Z)-4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-3-(2-methoxy-4-prop-2-enylphenoxy)-2-propanol IUPAC Name: 1-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]-3-(2-methoxy-4-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(4-allyl-2-methoxy-phenoxy)-3-[[(5Z)-4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2C5CC5)O

InChI

InChI=1S/C26H28N4O3S/c1-3-6-17-9-12-23(24(13-17)32-2)33-15-19(31)16-34-26-29-28-25(30(26)18-10-11-18)21-14-27-22-8-5-4-7-20(21)22/h3-5,7-9,12-14,18-19,28,31H,1,6,10-11,15-16H2,2H3/b25-21-