2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[4-cyclopropyl-5-(4-morpholinyl)-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(4-cyclopropyl-5-morpholino-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C16H16N6O3S MolecularWeight: 372.40164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N4CCOCC4

Isomeric SMILES

C1CC1N2C(=NN=C2SC3=C(C=C(C=C3)[N+](=O)[O-])C#N)N4CCOCC4

InChI

InChI=1S/C16H16N6O3S/c17-10-11-9-13(22(23)24)3-4-14(11)26-16-19-18-15(21(16)12-1-2-12)20-5-7-25-8-6-20/h3-4,9,12H,1-2,5-8H2