3-(4-cyclopropyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole

Systemtic Name: 3-(4-cyclopropyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole Openeye Name: 3-(4-cyclopropyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole CAS Name: 3-[4-cyclopropyl-3-(phenethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-(4-cyclopropyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole Traditional Name: 3-[4-cyclopropyl-3-(phenethylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H20N4S MolecularWeight: 360.4753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4S/c1-2-6-15(7-3-1)12-13-26-21-24-23-20(25(21)16-10-11-16)18-14-22-19-9-5-4-8-17(18)19/h1-9,14,16,23H,10-13H2