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

Systemtic Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]-3-nitro-4-piperidino-benzamide Formula: C16H20N6O3S MolecularWeight: 376.4334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])SC

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])SC

InChI

InChI=1S/C16H20N6O3S/c1-11-17-18-16(26-2)21(11)19-15(23)12-6-7-13(14(10-12)22(24)25)20-8-4-3-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,23)