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

Systemtic Name: 3-[4-cyclopropyl-3-(2-pyridin-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[2-(4-pyridyl)ethylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-(2-pyridin-4-ylethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-(2-pyridin-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[2-(4-pyridyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H19N5S MolecularWeight: 361.46336

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCC5=CC=NC=C5

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCCC5=CC=NC=C5

InChI

InChI=1S/C20H19N5S/c1-2-4-18-16(3-1)17(13-22-18)19-23-24-20(25(19)15-5-6-15)26-12-9-14-7-10-21-11-8-14/h1-4,7-8,10-11,13,15,23H,5-6,9,12H2