4-(cyclopropylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C14H15N5O3S2 MolecularWeight: 365.4306

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S2/c1-2-23-14-18-17-13(24-14)16-12(20)8-3-6-10(15-9-4-5-9)11(7-8)19(21)22/h3,6-7,9,15H,2,4-5H2,1H3,(H,16,17,20)