[4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-azanyl-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(3-nitrophenyl)methanone Openeye Name: [2-(allylamino)-4-amino-thiazol-5-yl]-(3-nitrophenyl)methanone CAS Name: [4-amino-2-(prop-2-enylamino)-5-thiazolyl]-(3-nitrophenyl)methanone IUPAC Name: [4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(3-nitrophenyl)methanone Traditional Name: [2-(allylamino)-4-amino-thiazol-5-yl]-(3-nitrophenyl)methanone Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=C(S1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

C=CCNC1=NC(=C(S1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C13H12N4O3S/c1-2-6-15-13-16-12(14)11(21-13)10(18)8-4-3-5-9(7-8)17(19)20/h2-5,7H,1,6,14H2,(H,15,16)