3-[4-cyclopropyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-(3-phenoxypropylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-(3-phenoxypropylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCOC5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCCOC5=CC=CC=C5

InChI

InChI=1S/C22H22N4OS/c1-2-7-17(8-3-1)27-13-6-14-28-22-25-24-21(26(22)16-11-12-16)19-15-23-20-10-5-4-9-18(19)20/h1-5,7-10,15-16,24H,6,11-14H2