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

Systemtic Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O3S/c24-17(11-4-3-5-13(8-11)23(25)26)20-18-22-21-16(27-18)9-12-10-19-15-7-2-1-6-14(12)15/h1-8,10,19H,9H2,(H,20,22,24)