1-ethyl-5-methyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one

Systemtic Name: 1-ethyl-5-methyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Openeye Name: 1-(7-allyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,3,5-triazinan-2-one CAS Name: 1-ethyl-5-methyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one IUPAC Name: 1-ethyl-5-methyl-3-(6-nitro-7-prop-2-enyl-1,3-benzothiazol-2-yl)-1,3,5-triazinan-2-one Traditional Name: 1-(7-allyl-6-nitro-1,3-benzothiazol-2-yl)-3-ethyl-5-methyl-1,3,5-triazinan-2-one Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC=C)C

Isomeric SMILES

CCN1CN(CN(C1=O)C2=NC3=C(S2)C(=C(C=C3)[N+](=O)[O-])CC=C)C

InChI

InChI=1S/C16H19N5O3S/c1-4-6-11-13(21(23)24)8-7-12-14(11)25-15(17-12)20-10-18(3)9-19(5-2)16(20)22/h4,7-8H,1,5-6,9-10H2,2-3H3