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

Systemtic Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-nitrobenzonitrile IUPAC Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-5-nitro-benzonitrile Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H13N5O2S/c19-11-13-10-15(23(24)25)8-9-16(13)26-18-20-17(12-6-7-12)22(21-18)14-4-2-1-3-5-14/h1-5,8-10,12H,6-7H2