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

Systemtic Name: 4-chloranyl-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O3S/c19-13-6-5-10(7-15(13)24(26)27)17(25)21-18-23-22-16(28-18)8-11-9-20-14-4-2-1-3-12(11)14/h1-7,9,20H,8H2,(H,21,23,25)