2-chloranyl-4-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: 2-chloranyl-4-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]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-4-nitro-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-2-thiazolyl]benzamide IUPAC Name: 2-chloro-4-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]-2-chloro-4-nitro-benzamide Formula: C16H13ClN6O3S2 MolecularWeight: 436.89582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O3S2/c1-2-5-22-13(20-21-16(22)27)6-9-8-28-15(18-9)19-14(24)11-4-3-10(23(25)26)7-12(11)17/h2-4,7-8H,1,5-6H2,(H,21,27)(H,18,19,24)