(3-methylpiperidin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: (3-methylpiperidin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: (3-methyl-1-piperidyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]methanone CAS Name: (3-methyl-1-piperidinyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]methanone IUPAC Name: (3-methylpiperidin-1-yl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: (3-methylpiperidino)-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]methanone Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O3S/c1-11-4-3-7-20(9-11)15(22)12-5-6-14(13(8-12)21(23)24)25-16-18-17-10-19(16)2/h5-6,8,10-11H,3-4,7,9H2,1-2H3