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

Systemtic Name: (3Z)-3-[4-cyclopropyl-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (3Z)-3-[4-cyclopropyl-3-(4-pyridylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: (3Z)-3-[4-cyclopropyl-3-(pyridin-4-ylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (3Z)-3-[4-cyclopropyl-3-(pyridin-4-ylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: (3Z)-3-[4-cyclopropyl-3-(4-pyridylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C19H17N5S MolecularWeight: 347.43678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=NC=C5

Isomeric SMILES

C1CC1N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC5=CC=NC=C5

InChI

InChI=1S/C19H17N5S/c1-2-4-17-15(3-1)16(11-21-17)18-22-23-19(24(18)14-5-6-14)25-12-13-7-9-20-10-8-13/h1-4,7-11,14,22H,5-6,12H2/b18-16-