N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Openeye Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide CAS Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide IUPAC Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitrobenzamide Traditional Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2,4-dinitro-benzamide Formula: C18H12N6O5S MolecularWeight: 424.39008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3=NN=C(S3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=NN=C(S3)NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H12N6O5S/c25-17(13-6-5-11(23(26)27)8-15(13)24(28)29)20-18-22-21-16(30-18)7-10-9-19-14-4-2-1-3-12(10)14/h1-6,8-9,19H,7H2,(H,20,22,25)