butan-1-amine; 2-[4-[5-[(1-nitroethenylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine

Systemtic Name: butan-1-amine; 2-[4-[5-[(1-nitroethenylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine Openeye Name: butan-1-amine; 2-[4-[5-[(1-nitrovinylamino)methyl]-2-furyl]thiazol-2-yl]guanidine CAS Name: 1-butanamine; 2-[4-[5-[(1-nitroethenylamino)methyl]-2-furanyl]-2-thiazolyl]guanidine IUPAC Name: butan-1-amine; 2-[4-[5-[(1-nitroethenylamino)methyl]furan-2-yl]-1,3-thiazol-2-yl]guanidine Traditional Name: butylamine; 2-[4-[5-[(1-nitrovinylamino)methyl]-2-furyl]thiazol-2-yl]guanidine Formula: C15H23N7O3S MolecularWeight: 381.45322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.C=C(NCC1=CC=C(O1)C2=CSC(=N2)N=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CCCCN.C=C(NCC1=CC=C(O1)C2=CSC(=N2)N=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C11H12N6O3S.C4H11N/c1-6(17(18)19)14-4-7-2-3-9(20-7)8-5-21-11(15-8)16-10(12)13;1-2-3-4-5/h2-3,5,14H,1,4H2,(H4,12,13,15,16);2-5H2,1H3