N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C15H18N6O3S MolecularWeight: 362.40682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])SC

InChI

InChI=1S/C15H18N6O3S/c1-10-16-17-15(25-2)20(10)18-14(22)11-5-6-12(13(9-11)21(23)24)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,22)