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

Systemtic Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(3-ethylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-(ethylthio)-5-methyl-1,2,4-triazol-4-yl]-3-nitro-4-piperidino-benzamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CCSC1=NN=C(N1NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O3S/c1-3-27-17-19-18-12(2)22(17)20-16(24)13-7-8-14(15(11-13)23(25)26)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,24)