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

Systemtic Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C19H18BrN5O3S MolecularWeight: 476.34692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN5O3S/c1-3-16(18(26)21-14-8-6-13(20)7-9-14)29-19-23-22-17(24(19)2)12-4-10-15(11-5-12)25(27)28/h4-11,16H,3H2,1-2H3,(H,21,26)