N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-cyclopropyl-4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]butyramide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O3S/c27-19(22-16-10-11-16)7-4-14-30-21-24-23-20(25(21)17-5-2-1-3-6-17)15-8-12-18(13-9-15)26(28)29/h1-3,5-6,8-9,12-13,16H,4,7,10-11,14H2,(H,22,27)