N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C15H15N7O3S MolecularWeight: 373.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H15N7O3S/c1-2-3-4-13-19-20-15(26-13)18-14(23)10-5-6-11(12(7-10)22(24)25)21-9-16-8-17-21/h5-9H,2-4H2,1H3,(H,18,20,23)