3-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-3-nitro-benzamide CAS Name: 3-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 3-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]thiazol-2-yl]-3-nitro-benzamide Formula: C16H14N6O3S2 MolecularWeight: 402.45076

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NNC1=S)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3S2/c1-2-6-21-13(19-20-16(21)26)8-11-9-27-15(17-11)18-14(23)10-4-3-5-12(7-10)22(24)25/h2-5,7,9H,1,6,8H2,(H,20,26)(H,17,18,23)