4-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-pyrrolidin-1-yl-1,2,4-triazole

Systemtic Name: 4-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-pyrrolidin-1-yl-1,2,4-triazole Openeye Name: 3-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazole CAS Name: 4-(4-methylphenyl)-3-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-5-(1-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-(4-methylphenyl)-3-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-5-pyrrolidin-1-yl-1,2,4-triazole Traditional Name: 3-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-4-(p-tolyl)-5-pyrrolidino-1,2,4-triazole Formula: C19H19N5O3S MolecularWeight: 397.45086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SC=CC3=CC=C(O3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2S/C=C/C3=CC=C(O3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C19H19N5O3S/c1-14-4-6-15(7-5-14)23-18(22-11-2-3-12-22)20-21-19(23)28-13-10-16-8-9-17(27-16)24(25)26/h4-10,13H,2-3,11-12H2,1H3/b13-10+