4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-prop-2-ynyl-benzamide

Systemtic Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-prop-2-ynyl-benzamide Openeye Name: 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-N-prop-2-ynyl-benzamide CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitro-N-prop-2-ynylbenzamide IUPAC Name: 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-N-prop-2-ynylbenzamide Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-N-propargyl-benzamide Formula: C14H11N3O3S2 MolecularWeight: 333.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S2/c1-3-6-15-13(18)10-4-5-12(11(7-10)17(19)20)22-14-16-9(2)8-21-14/h1,4-5,7-8H,6H2,2H3,(H,15,18)