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

Systemtic Name: N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(1-naphthalenylmethylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(naphthalen-1-ylmethylamino)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(1-naphthylmethylamino)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CNC3=NN=C(S3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c26-18(14-7-4-9-16(11-14)25(27)28)22-20-24-23-19(29-20)21-12-15-8-3-6-13-5-1-2-10-17(13)15/h1-11H,12H2,(H,21,23)(H,22,24,26)