N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(1-cyclohexenylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(cyclohexen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O3S/c21-15(12-7-4-8-13(10-12)20(22)23)17-16-19-18-14(24-16)9-11-5-2-1-3-6-11/h4-5,7-8,10H,1-3,6,9H2,(H,17,19,21)