N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitro-4-phenylsulfanyl-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-nitro-4-(phenylthio)benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O3S/c1-15-13-16(2)24(23-15)12-6-11-22-21(26)17-9-10-20(19(14-17)25(27)28)29-18-7-4-3-5-8-18/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,22,26)