(3Z)-3-[4-(oxolan-2-ylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: (3Z)-3-[4-(oxolan-2-ylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (3Z)-3-[3-phenethylsulfanyl-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: (3Z)-3-[4-(2-oxolanylmethyl)-3-(phenethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (3Z)-3-[4-(oxolan-2-ylmethyl)-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: (3Z)-3-[3-(phenethylthio)-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-5-ylidene]indole Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=C3C=NC4=CC=CC=C43)NN=C2SCCC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCCC5=CC=CC=C5

InChI

InChI=1S/C23H24N4OS/c1-2-7-17(8-3-1)12-14-29-23-26-25-22(27(23)16-18-9-6-13-28-18)20-15-24-21-11-5-4-10-19(20)21/h1-5,7-8,10-11,15,18,25H,6,9,12-14,16H2/b22-20-