N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propanamide Traditional Name: N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-3-(2-nitroanilino)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)CCNC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN=C(S4)NC(=O)CCNC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O3S/c27-18(5-6-22-16-3-1-2-4-17(16)26(28)29)23-20-25-24-19(30-20)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15,22H,5-12H2,(H,23,25,27)