3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[[(4R)-1,3-dioxan-4-yl]methylthio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5CCOCO5

Isomeric SMILES

C1COCO[C@H]1CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C18H20N4O2S/c1-2-4-16-14(3-1)15(9-19-16)17-20-21-18(22(17)12-5-6-12)25-10-13-7-8-23-11-24-13/h1-4,9,12-13,20H,5-8,10-11H2/t13-/m1/s1