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

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzonitrile CAS Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzonitrile IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzonitrile Traditional Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzonitrile Formula: C15H13N5O2S MolecularWeight: 327.36102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O2S/c16-8-9-1-6-13(12(7-9)20(21)22)23-15-18-17-14(10-2-3-10)19(15)11-4-5-11/h1,6-7,10-11H,2-5H2