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

Systemtic Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzenesulfonamide Formula: C14H17N5O4S2 MolecularWeight: 383.44588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H17N5O4S2/c1-8(2)13-16-17-14(18(13)9-3-4-9)24-12-6-5-10(25(15,22)23)7-11(12)19(20)21/h5-9H,3-4H2,1-2H3,(H2,15,22,23)